CHEBI:70538 - rel-6alpha,7alpha-Epoxy-5beta-hydroxy-12-deoxyphorbol-13-decanoate

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ChEBI Name rel-6alpha,7alpha-Epoxy-5beta-hydroxy-12-deoxyphorbol-13-decanoate
ChEBI ID CHEBI:70538
Definition A natural product found in Pimelea elongata.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H46O8
Net Charge 0
Average Mass 534.68140
Monoisotopic Mass 534.31927
InChI InChI=1S/C30H46O8/c1-6-7-8-9-10-11-12-13-20(32)37-28-15-18(3)29(35)19-14-17(2)23(33)30(19,36)25(34)27(16-31)24(38-27)21(29)22(28)26(28,4)5/h14,18-19,21-22,24-25,31,34-36H,6-13,15-16H2,1-5H3/t18-,19+,21-,22-,24+,25-,27+,28+,29+,30-/m1/s1
InChIKey MNXGCOMZNRZZJF-XPAZGZTJSA-N
SMILES [H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@@]1([H])[C@@]1(O)[C@H](C)C[C@]3(OC(=O)CCCCCCCCC)[C@]([H])([C@]21[H])C3(C)C
Metabolite of Species Details
Pimelea elongata (IPNI:74472-3) Found in root (BTO:0001188). Airdried and milled root was soaked in 90% MeOH and extracted with MeOH 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing rel-6alpha,7alpha-Epoxy-5beta-hydroxy-12-deoxyphorbol-13-decanoate (CHEBI:70538) has role metabolite (CHEBI:25212)
rel-6alpha,7alpha-Epoxy-5beta-hydroxy-12-deoxyphorbol-13-decanoate (CHEBI:70538) is a monoterpenoid (CHEBI:25409)
Citation Waiting for Citations Type Source
21049973 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:ketone(CHEBI:17087); ISA:polyol(CHEBI:26191); ISA:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:epoxide(CHEBI:32955); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:primary alcohol(CHEBI:15734);