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

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ChEBI Name 3alpha,6beta-dihydroxy-7,17-dioxo-ent-abieta-15(16)-ene
ChEBI ID CHEBI:70368
Definition A natural product found in Isodon eriocalyx.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H30O4
Net Charge 0
Average Mass 334.44980
Monoisotopic Mass 334.21441
InChI InChI=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
InChIKey PYTXCJKULGAJQT-WEMZJFJNSA-N
SMILES [H][C@@]12C[C@@H](CC[C@@]1([H])[C@]1(C)CC[C@@H](O)C(C)(C)[C@@]1([H])[C@H](O)C2=O)C(=C)C=O
Metabolite of Species Details
Isodon eriocalyx (IPNI:448573-1) Found in aerial part (BTO:0001658). 70% aqueous Me2CO extract of air-dried and powdered 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
Citation Waiting for Citations Type Source
20949916 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:phenanthrenes(CHEBI:25961); ISA:cyclohexanones(CHEBI:23482); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:organonitrogen compound(CHEBI:35352); ISA:aldehyde(CHEBI:17478);