CHEBI:67864 - rel-16-Angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,7beta-trihydroxytiglia-1,5-dien-3-one

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ChEBI Name rel-16-Angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,7beta-trihydroxytiglia-1,5-dien-3-one
ChEBI ID CHEBI:67864
Definition A natural product found in Euphorbia grandicornis.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H40O8
Net Charge 0
Average Mass 516.62310
Monoisotopic Mass 516.27232
InChI InChI=1S/C29H40O8/c1-9-15(4)25(33)36-13-26(8)22-20-21(30)17(6)11-27(34)19(10-16(5)23(27)31)29(20,35)18(7)12-28(22,26)37-24(32)14(2)3/h9-11,14,18-22,30,34-35H,12-13H2,1-8H3/b15-9-/t18-,19-,20+,21+,22-,26-,27-,28+,29+/m1/s1
InChIKey WFWMFGZANWSYAM-RJTCIUCTSA-N
SMILES [H][C@@]12C=C(C)C(=O)[C@@]1(O)C=C(C)[C@H](O)[C@@]1([H])[C@]3([H])[C@@](C)(COC(=O)C(\C)=C/C)[C@@]3(C[C@@H](C)[C@]21O)OC(=O)C(C)C
Metabolite of Species Details
Euphorbia grandicornis (NCBI:txid334676) Found in aerial part (BTO:0001658). The CHCl3 soluble fraction of methanolic extract of aerial parts See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing rel-16-Angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,7beta-trihydroxytiglia-1,5-dien-3-one (CHEBI:67864) has role metabolite (CHEBI:25212)
rel-16-Angeloyloxy-13alpha-isobutanoyloxy-4beta,9alpha,7beta-trihydroxytiglia-1,5-dien-3-one (CHEBI:67864) is a phorbol ester (CHEBI:37532)
Citation Waiting for Citations Type Source
21319774 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:fatty acid ester(CHEBI:35748); ISA:dicarboxylic acid(CHEBI:35692); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:enoate ester(CHEBI:51702); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:ketone(CHEBI:17087); ISA:polyol(CHEBI:26191); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);