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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > 18:3-glc-stigmasterol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > 18:3-glc-stigmasterol
... > 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 polycyclic compound > steroid > 18:3-glc-stigmasterol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > 18:3-glc-stigmasterol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > 18:3-glc-stigmasterol

Preferred term

18:3-glc-stigmasterol  

Type

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

Broader concept

charge

  • 0

formula

  • C53H86O7

has_parent_hydride

inchi

  • InChI=1S/C53H86O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h10-11,13-14,16-17,25-27,37-39,41-46,48-51,55-57H,8-9,12,15,18-24,28-36H2,1-7H3/b11-10-,14-13-,17-16-,26-25+/t38-,39-,41+,42+,43-,44+,45+,46?,48-,49?,50?,51-,52+,53-/m1/s1

inchikey

  • DDXQYFMGXLOHIZ-WNVRGNOXSA-N

mass

  • 835.264

monoisotopicmass

  • 834.63736

smiles

  • O([C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@H](C)/C=C/[C@H](C(C)C)CC)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[C@@H]5OC([C@@H](O)C(O)C5O)COC(=O)CCCCCCC/C=C/C/C=C/C/C=C/CC

subset

  • 2_STAR

synonym EXACT

  • [(3S,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:185833

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