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CHEBI:216505 - 9alpha,11alpha,15alpha-trihydroxyergosta-4,6,8(14),22-tetraen-3-one

ChEBI IDCHEBI:216505
ChEBI Name9alpha,11alpha,15alpha-trihydroxyergosta-4,6,8(14),22-tetraen-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O4
Net Charge0
Average Mass440.624
Monoisotopic Mass440.29266
SMILESCC(C)[C@@H](C)C=C[C@@H](C)[C@H]1C[C@H](O)C2=C3C=CC4=CC(=O)CC[C@]4(C)[C@@]3(O)[C@H](O)C[C@@]21C
InChIInChI=1S/C28H40O4/c1-16(2)17(3)7-8-18(4)22-14-23(30)25-21-10-9-19-13-20(29)11-12-27(19,6)28(21,32)24(31)15-26(22,25)5/h7-10,13,16-18,22-24,30-32H,11-12,14-15H2,1-6H3/t17-,18+,22+,23-,24+,26+,27-,28-/m0/s1
InChIKeyQHNKLRSLKJRIIX-GLZGGESTSA-N
Species of MetaboliteComponentSourceComments
Lasiodiplodia pseudotheobromae (ncbitaxon:466954) - DOI (10.1016/j.tetlet.2020.151737)
ChEBI Ontology
Outgoing Relation(s)
9alpha,11alpha,15alpha-trihydroxyergosta-4,6,8(14),22-tetraen-3-one (CHEBI:216505) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(9S,10S,11R,13R,15S,17R)-17-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-9,11,15-trihydroxy-10,13-dimethyl-2,11,12,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-3-one