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CHEBI:187971 - Theonellasterol D

ChEBI IDCHEBI:187971
ChEBI NameTheonellasterol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H52O3
Net Charge0
Average Mass472.754
Monoisotopic Mass472.39165
SMILES[H][C@@]12CCC3=C4[C@H](O)C[C@]([H])([C@H](C)CC[C@H](CC)C(C)C)[C@@]4(C)CC[C@]3(OC)[C@@]1(C)CC[C@H](O)C2=C
InChIInChI=1S/C31H52O3/c1-9-22(19(2)3)11-10-20(4)25-18-27(33)28-24-13-12-23-21(5)26(32)14-15-30(23,7)31(24,34-8)17-16-29(25,28)6/h19-20,22-23,25-27,32-33H,5,9-18H2,1-4,6-8H3/t20-,22+,23+,25-,26+,27-,29-,30+,31-/m1/s1
InChIKeyGAIYBUOCJZWXJP-BHOIPIFBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Theonellasterol D (CHEBI:187971) has parent hydride stigmastane (CHEBI:26773)
Theonellasterol D (CHEBI:187971) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,5S,9S,10S,13R,15R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-9-methoxy-10,13-dimethyl-4-methylidene-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
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