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CHEBI:185987 - Theonellasterol H

ChEBI IDCHEBI:185987
ChEBI NameTheonellasterol H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O4
Net Charge0
Average Mass474.726
Monoisotopic Mass474.37091
SMILES[H][C@@]12CCC3=C([C@H](O)C[C@]4(C)[C@@]([H])([C@H](C)CC[C@H](CC)C(C)C)C[C@H](O)[C@@]34O)[C@@]1(C)CC[C@H](O)C2=C
InChIInChI=1S/C30H50O4/c1-8-20(17(2)3)10-9-18(4)23-15-26(33)30(34)22-12-11-21-19(5)24(31)13-14-28(21,6)27(22)25(32)16-29(23,30)7/h17-18,20-21,23-26,31-34H,5,8-16H2,1-4,6-7H3/t18-,20+,21+,23-,24+,25-,26+,28+,29-,30+/m1/s1
InChIKeyJHWFNPQAVWUMPC-ZLPBCUNHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Theonellasterol H (CHEBI:185987) has parent hydride stigmastane (CHEBI:26773)
Theonellasterol H (CHEBI:185987) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,5R,10S,11R,13R,14S,15S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-4-methylidene-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11,14,15-tetrol
Manual XrefsDatabases
26333602ChemSpider
LMST01040187LIPID MAPS