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CHEBI:70368 - 3alpha,6beta-dihydroxy-7,17-dioxo-ent-abieta-15(16)-ene

ChEBI IDCHEBI:70368
ChEBI Name3alpha,6beta-dihydroxy-7,17-dioxo-ent-abieta-15(16)-ene
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILES[H][C@@]12CC[C@@H](C(=C)C=O)C[C@@]1([H])C(=O)[C@@H](O)[C@]1([H])C(C)(C)[C@H](O)CC[C@@]21C
InChIInChI=1S/C20H30O4/c1-11(10-21)12-5-6-14-13(9-12)16(23)17(24)18-19(2,3)15(22)7-8-20(14,18)4/h10,12-15,17-18,22,24H,1,5-9H2,2-4H3/t12-,13-,14-,15-,17-,18-,20+/m1/s1
InChIKeyPYTXCJKULGAJQT-WEMZJFJNSA-N
Species of MetaboliteComponentSourceComments
Isodon eriocalyx (IPNI:448573-1) aerial part (BTO:0001658) PubMed (20949916) 70% aqueous Me2CO extract of air-dried and powdered aerial parts
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)
3alpha,6beta-dihydroxy-7,17-dioxo-ent-abieta-15(16)-ene (CHEBI:70368) has role metabolite (CHEBI:25212)
3alpha,6beta-dihydroxy-7,17-dioxo-ent-abieta-15(16)-ene (CHEBI:70368) is a diterpenoid (CHEBI:23849)
Citations