CHEBI:209011 - Microporenic acid B

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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 Microporenic acid B
ChEBI ID CHEBI:209011
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H42O7
Net Charge 0
Average Mass 478.626
Monoisotopic Mass 478.29305
InChI InChI=1S/C27H42O7/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)16-17-34-25(27(31)32)23(26(29)30)18-24(28)33-6/h10,12,14,16,23,25H,7-9,11,13,15,17-18H2,1-6H3,(H,29,30)(H,31,32)/b20-12+,21-14+,22-16+/t23-,25+/m0/s1
InChIKey ZBDVBGZCDFAFSD-WUHCIOOHSA-N
SMILES O=C(O)[C@H](OC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)[C@@H](C(=O)O)CC(=O)OC
Metabolite of Species Details
Microporusspecies (in: basidiomycete fungi) (NCBI:txid2007320) See: PubMed
ChEBI Ontology
Outgoing Microporenic acid B (CHEBI:209011) is a diterpenoid (CHEBI:23849)
IUPAC Name
(2S,3R)-2-(2-methoxy-2-oxoethyl)-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]butanedioic acid
Manual Xref Database
78439045 ChemSpider
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