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CHEBI:215335 - Xeromphalinone E

ChEBI IDCHEBI:215335
ChEBI NameXeromphalinone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O7
Net Charge0
Average Mass498.616
Monoisotopic Mass498.26175
SMILESCC1(C)C[C@@H]2C[C@@]34O[C@@H]3C(=O)[C@](O)(CCC3=C5[C@@H]6CC(C)(C)C[C@@H]6C[C@@]5(O)CC3=O)[C@@]4(C(=O)O)[C@@H]2C1
InChIInChI=1S/C29H38O7/c1-24(2)7-14-9-26(34)13-19(30)16(20(26)17(14)11-24)5-6-27(35)21(31)22-28(36-22)10-15-8-25(3,4)12-18(15)29(27,28)23(32)33/h14-15,17-18,22,34-35H,5-13H2,1-4H3,(H,32,33)/t14-,15-,17-,18-,22-,26-,27-,28-,29+/m1/s1
InChIKeyGWNLSSCKIADHTK-JFRXYSSDSA-N
Species of MetaboliteComponentSourceComments
Xeromphalinaspecies (ncbitaxon:2011762) - PubMed (20345148)
ChEBI Ontology
Outgoing Relation(s)
Xeromphalinone E (CHEBI:215335) is a prostanoid (CHEBI:26347)
IUPAC Name 
(1S,3R,7R,8S,9S,11S)-9-[2-[(3bR,6aR,7aR)-7a-hydroxy-5,5-dimethyl-2-oxo-1,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalen-3-yl]ethyl]-9-hydroxy-5,5-dimethyl-10-oxo-12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-8-carboxylic acid
Manual XrefsDatabases
78438078ChemSpider