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CHEBI:210387 - 2beta-Methoxy-3a,9a-dihydroxyergosta-7,22

ChEBI IDCHEBI:210387
ChEBI Name2beta-Methoxy-3a,9a-dihydroxyergosta-7,22
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O3
Net Charge0
Average Mass444.700
Monoisotopic Mass444.36035
SMILESCO[C@H]1C[C@@]2(C)C(CC=C3C4CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@@]32O)C[C@@H]1O
InChIInChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)22-12-13-23-24-11-10-21-16-25(30)26(32-7)17-28(21,6)29(24,31)15-14-27(22,23)5/h8-9,11,18-23,25-26,30-31H,10,12-17H2,1-7H3/b9-8+/t19-,20+,21?,22+,23?,25-,26-,27+,28-,29+/m0/s1
InChIKeyAQPFYTGLRKZIIW-DJNFYPBISA-N
Species of MetaboliteComponentSourceComments
Ganoderma amboinense (ncbitaxon:2952274) - DOI (10.1016/0031-9422(93)85177-s)
ChEBI Ontology
Outgoing Relation(s)
2beta-Methoxy-3a,9a-dihydroxyergosta-7,22 (CHEBI:210387) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(2S,3S,9S,10S,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-2-methoxy-10,13-dimethyl-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,9-diol
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78441946ChemSpider