CHEBI:211303 - 11-hydroxychevalone E

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 11-hydroxychevalone E
ChEBI ID CHEBI:211303
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H38O5
Net Charge 0
Average Mass 430.585
Monoisotopic Mass 430.27192
InChI InChI=1S/C26H38O5/c1-14-11-16(27)15-12-19-25(5)9-7-18-23(2,3)20(29)8-10-24(18,4)21(25)17(28)13-26(19,6)31-22(15)30-14/h11,17-21,28-29H,7-10,12-13H2,1-6H3/t17-,18-,19-,20-,21+,24-,25-,26-/m0/s1
InChIKey YZKUFEKNHFVINC-WKFMXCDASA-N
SMILES O=C1C2=C(OC(=C1)C)O[C@]3(C[C@H](O)[C@H]4[C@]([C@@H]3C2)(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C
Metabolite of Species Details
Aspergillus thermomutatus (NCBI:txid41047) See: PubMed
ChEBI Ontology
Outgoing 11-hydroxychevalone E (CHEBI:211303) is a organic heterotricyclic compound (CHEBI:26979)
11-hydroxychevalone E (CHEBI:211303) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,2S,11S,13S,14R,15S,18S,20R)-13,18-dihydroxy-1,7,11,15,19,19-hexamethyl-8,10-dioxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),6-dien-5-one