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CHEBI:198864 - Sterhirsutin E

ChEBI IDCHEBI:198864
ChEBI NameSterhirsutin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36O8
Net Charge0
Average Mass524.610
Monoisotopic Mass524.24102
SMILESC=C1C(=O)C(OC(=O)[C@@]2(C)C[C@@H]3C[C@@]4(O)C(=O)C(O)=C(C)[C@@]4(C)[C@@H]3C2)=C2C[C@H]3C[C@](C)(C(=O)O)C[C@H]3[C@]12C
InChIInChI=1S/C30H36O8/c1-13-20(31)22(17-7-15-8-26(3,24(34)35)11-18(15)28(13,17)5)38-25(36)27(4)9-16-10-30(37)23(33)21(32)14(2)29(30,6)19(16)12-27/h15-16,18-19,32,37H,1,7-12H2,2-6H3,(H,34,35)/t15-,16+,18+,19+,26-,27-,28+,29-,30+/m0/s1
InChIKeyUAQMAMISAAUZSV-BYLZDTGPSA-N
Species of MetaboliteComponentSourceComments
Stereum hirsutum (ncbitaxon:40492) - PubMed (26068271)
ChEBI Ontology
Outgoing Relation(s)
Sterhirsutin E (CHEBI:198864) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3aS,3bR,5S,6aS)-1-[(3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carbonyl]oxy-3a,5-dimethyl-3-methylidene-2-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylic acid