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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > macrolide > roseopurpurin i
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > roseopurpurin i
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > roseopurpurin i
... > 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 ester > lactone > macrocyclic lactone > macrolide > roseopurpurin i
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > roseopurpurin i
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > roseopurpurin i
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > roseopurpurin i
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > roseopurpurin i
... > 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 > lactone > macrocyclic lactone > macrolide > roseopurpurin i
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > roseopurpurin i
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > roseopurpurin i

Preferred term

roseopurpurin i  

Type

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

Broader concept

charge

  • 0

formula

  • C33H40O11

inchi

  • InChI=1S/C33H40O11/c1-16-10-22(35)18(3)25(11-16)44-31-30(41)32(4,28(39)29(40)33(31,5)42-6)20-9-7-8-17(2)43-26(38)13-19-12-21(34)15-24(37)27(19)23(36)14-20/h10-12,15,17,20,29,31,34-35,37,40H,7-9,13-14H2,1-6H3/t17-,20+,29+,31-,32+,33-/m0/s1

inchikey

  • DKMFDYJRMAEKLL-QITWZCEJSA-N

mass

  • 612.672

monoisotopicmass

  • 612.25706

smiles

  • O=C1O[C@H](CCC[C@@H]([C@]2(C(=O)[C@H](OC3=C(C(O)=CC(=C3)C)C)[C@](OC)(C)[C@@H](C2=O)O)C)CC(C4=C(C1)C=C(O)C=C4O)=O)C

subset

  • 2_STAR

synonym EXACT

  • (5S,9R)-13,15-dihydroxy-9-[(1R,3S,4S,5R)-3-hydroxy-5-(3-hydroxy-2,5-dimethylphenoxy)-4-methoxy-1,4-dimethyl-2,6-dioxocyclohexyl]-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198640

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