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

ChEBI IDCHEBI:70538
ChEBI Namerel-6alpha,7alpha-Epoxy-5beta-hydroxy-12-deoxyphorbol-13-decanoate
Stars
DefinitionA natural product found in Pimelea elongata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H46O8
Net Charge0
Average Mass534.690
Monoisotopic Mass534.31927
SMILES[H][C@@]12C=C(C)C(=O)[C@@]1(O)[C@H](O)[C@@]1(CO)O[C@@]1([H])[C@]1([H])[C@]2(O)[C@H](C)C[C@@]2(OC(=O)CCCCCCCCC)C(C)(C)[C@@]12[H]
InChIInChI=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
InChIKeyMNXGCOMZNRZZJF-XPAZGZTJSA-N
Species of MetaboliteComponentSourceComments
Pimelea elongata (IPNI:74472-3) root (BTO:0001188) PubMed (21049973) Airdried and milled root was soaked in 90% MeOH and extracted with MeOH
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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)
Citations