CHEBI:206020 - 12,13-Deoxytrichoverrin A

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ChEBI Name 12,13-Deoxytrichoverrin A
ChEBI ID CHEBI:206020
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H40O8
Net Charge 0
Average Mass 516.631
Monoisotopic Mass 516.27232
InChI InChI=1S/C29H40O8/c1-18-10-12-29(17-35-27(34)15-19(2)11-13-30)25(14-18)36-23-16-24(28(29,5)20(23)3)37-26(33)9-7-6-8-22(32)21(4)31/h6-9,14-15,21-25,30-32H,3,10-13,16-17H2,1-2,4-5H3/t21?,22-,23?,24+,25?,28+,29?/m0/s1
InChIKey DQMXCXZEZVSOMG-DMFWUUKOSA-N
SMILES O=C(OCC12[C@@]3(C(=C)C(OC1C=C(C)CC2)C[C@H]3OC(=O)C=CC=C[C@H](O)C(O)C)C)C=C(CCO)C
Metabolite of Species Details
Albifimbria verrucaria (NCBI:txid1859699) See: DOI
ChEBI Ontology
Outgoing 12,13-Deoxytrichoverrin A (CHEBI:206020) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name
[(1S,11R)-2-[(5-hydroxy-3-methylpent-2-enoyl)oxymethyl]-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-11-yl] (6S)-6,7-dihydroxyocta-2,4-dienoate