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Chemistry, part 2

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alborixin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alborixin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alborixin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > alborixin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > hemiacetal > lactol > cyclic hemiketal > alborixin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > hemiacetal > lactol > cyclic hemiketal > alborixin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > hemiacetal > hemiketal > cyclic hemiketal > alborixin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > hemiacetal > hemiketal > cyclic hemiketal > alborixin
organooxygen compound > oxacycle > oxolanes > alborixin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > oxolanes > alborixin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > oxolanes > alborixin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > oxolanes > alborixin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > oxolanes > alborixin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > oxolanes > alborixin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > oxolanes > alborixin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heterocyclic antibiotic > organooxygen heterocyclic antibiotic > polyether antibiotic > alborixin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > heterocyclic antibiotic > organooxygen heterocyclic antibiotic > polyether antibiotic > alborixin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heterocyclic antibiotic > organooxygen heterocyclic antibiotic > polyether antibiotic > alborixin

Preferred term

alborixin  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C48H84O14

has_role

inchi

  • InChI=1S/C48H84O14/c1-13-38-43(10,53)18-17-39(58-38)44(11)23-30(7)48(56,62-44)45(12)19-16-35(59-45)41(50)47(55)29(6)21-26(3)37(61-47)24-46(54)28(5)14-15-34(60-46)31(8)33(49)22-36-25(2)20-27(4)40(57-36)32(9)42(51)52/h25-41,49-50,53-56H,13-24H2,1-12H3,(H,51,52)/t25-,26+,27+,28+,29-,30-,31+,32-,33-,34-,35+,36+,37-,38+,39-,40+,41-,43-,44+,45+,46-,47-,48-/m1/s1

inchikey

  • WWDHGOLBPBWCNJ-GXXSWWTOSA-N

mass

  • 885.17220

monoisotopicmass

  • 884.58611

smiles

  • CC[C@@H]1O[C@H](CC[C@@]1(C)O)[C@]1(C)C[C@@H](C)[C@@](O)(O1)[C@]1(C)CC[C@H](O1)[C@@H](O)[C@]1(O)O[C@H](C[C@@]2(O)O[C@H](CC[C@@H]2C)[C@@H](C)[C@H](O)C[C@@H]2O[C@H]([C@@H](C)C(O)=O)[C@@H](C)C[C@H]2C)[C@@H](C)C[C@H]1C

subset

  • 3_STAR

synonym EXACT

  • (2R)-2-[(2S,3S,5R,6S)-6-{(2R,3S)-3-[(2R,5S,6R)-6-({(2R,3S,5R,6R)-6-[(R)-{(2S,2'R,3'R,5S,5'S)-5'-[(2R,5R,6S)-6-ethyl-5-hydroxy-5-methyltetrahydro-2H-pyran-2-yl]-2'-hydroxy-2,3',5'-trimethyloctahydro-2,2'-bifuran-5-yl}(hydroxy)methyl]-6-hydroxy-3,5-dimethyltetrahydro-2H-pyran-2-yl}methyl)-6-hydroxy-5-methyltetrahydro-2H-pyran-2-yl]-2-hydroxybutyl}-3,5-dimethyltetrahydro-2H-pyran-2-yl]propanoic acid

synonym RELATED

  • Antibiotic S 14750A

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:77940

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