CHEBI:199430 - Chevalone A

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ChEBI Name Chevalone A
ChEBI ID CHEBI:199430
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H38O4
Net Charge 0
Average Mass 414.586
Monoisotopic Mass 414.27701
InChI InChI=1S/C26H38O4/c1-15-13-17-16(22(28)29-15)14-20-25(5)10-7-18-23(2,3)21(27)9-11-24(18,4)19(25)8-12-26(20,6)30-17/h13,18-21,27H,7-12,14H2,1-6H3/t18-,19+,20-,21-,24-,25+,26-/m0/s1
InChIKey XVYAFRIRAFSVGL-KFCOXGNHSA-N
SMILES O=C1OC(=CC2=C1C[C@H]3[C@]4([C@@H]([C@@]5([C@H](C([C@@H](O)CC5)(C)C)CC4)C)CC[C@@]3(O2)C)C)C
Metabolite of Species Details
Aspergillus chevalieri (NCBI:txid182096) See: DOI
ChEBI Ontology
Outgoing Chevalone A (CHEBI:199430) is a organic heterotricyclic compound (CHEBI:26979)
Chevalone A (CHEBI:199430) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,2S,11S,14R,15R,18S,20R)-18-hydroxy-1,7,11,15,19,19-hexamethyl-6,10-dioxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),7-dien-5-one
Manual Xref Database
28288857 ChemSpider
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