CHEBI:209020 - Microporenic acid C

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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 C
ChEBI ID CHEBI:209020
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H38O9
Net Charge 0
Average Mass 494.581
Monoisotopic Mass 494.25158
InChI InChI=1S/C26H38O9/c1-17(8-5-9-18(2)12-7-13-20(4)24(29)30)10-6-11-19(3)14-15-35-23(26(33)34)21(25(31)32)16-22(27)28/h9-10,13-14,21,23H,5-8,11-12,15-16H2,1-4H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)/b17-10+,18-9+,19-14+,20-13+/t21-,23+/m0/s1
InChIKey GGBZDYXEXJJNIW-NQGSRCNPSA-N
SMILES O=C(O)/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[C@@H](C(=O)O)[C@@H](C(=O)O)CC(=O)O)/C)/C)/C)/C
Metabolite of Species Details
Microporusspecies (in: basidiomycete fungi) (NCBI:txid2007320) See: PubMed
ChEBI Ontology
Outgoing Microporenic acid C (CHEBI:209020) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,2S)-1-[(2E,6E,10E,14E)-15-carboxy-3,7,11-trimethylhexadeca-2,6,10,14-tetraenoxy]propane-1,2,3-tricarboxylic acid
Manual Xref Database
78439046 ChemSpider
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