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CHEBI:206020 - 12,13-Deoxytrichoverrin A

ChEBI IDCHEBI:206020
ChEBI Name12,13-Deoxytrichoverrin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O8
Net Charge0
Average Mass516.631
Monoisotopic Mass516.27232
SMILESC=C1C2C[C@@H](OC(=O)C=CC=C[C@H](O)C(C)O)[C@]1(C)C1(COC(=O)C=C(C)CCO)CCC(C)=CC1O2
InChIInChI=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
InChIKeyDQMXCXZEZVSOMG-DMFWUUKOSA-N
Species of MetaboliteComponentSourceComments
Albifimbria verrucaria (ncbitaxon:1859699) - DOI (10.1021/np50063a036)
ChEBI Ontology
Outgoing Relation(s)
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