CHEBI:67654 - Isoadenolin C

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ChEBI Name Isoadenolin C
ChEBI ID CHEBI:67654
Definition A natural product found in Isodon adenolomus.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H30O7
Net Charge 0
Average Mass 394.45870
Monoisotopic Mass 394.19915
InChI InChI=1S/C21H30O7/c1-18(2)7-6-12(22)19-11-5-4-9-10(8-26-3)14(23)20(11)16(9)27-17(19)28-21(20,25)15(24)13(18)19/h9-13,15-17,22,24-25H,4-8H2,1-3H3/t9-,10-,11+,12+,13-,15+,16+,17?,19+,20+,21+/m1/s1
InChIKey YJQFQYKJRHXIQA-QCTFDJAGSA-N
SMILES [H][C@]12CC[C@@]3([H])[C@]45[C@@H](O)CCC(C)(C)[C@@]4([H])[C@H](O)[C@]4(O)OC5O[C@@H]1[C@@]34C(=O)[C@@H]2COC
Metabolite of Species Details
Isodon adenolomus (NCBI:txid662903) Found in aerial part (BTO:0001658). 70% aqueous acetone 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 Isoadenolin C (CHEBI:67654) has role metabolite (CHEBI:25212)
Isoadenolin C (CHEBI:67654) is a dioxanes (CHEBI:46926)
Synonym Source
16(S)-1alpha,6beta,7beta-trihydroxy-17-methoxy-7alpha,20:14alpha,20-diepoxy-ent-kaur-15-one ChEBI
Citation Waiting for Citations Type Source
21534539 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:organic hydroxy compound(CHEBI:33822); ISA:hemiacetal(CHEBI:5653); ISA:ketone(CHEBI:17087); ISA:ether(CHEBI:25698); ISA:acetal(CHEBI:59769);