CHEBI:67680 - Rabdoternin E

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ChEBI Name Rabdoternin E
ChEBI ID CHEBI:67680
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/c1-9-10-5-6-11-19-12(22)7-8-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(11,14(9)23)15(10)24/h10-13,15-17,22,24-26H,1,5-8H2,2-4H3/t10-,11+,12+,13-,15-,16+,17-,19+,20+,21-/m1/s1
InChIKey UHERRNNNKBWWKU-JVWDHMGKSA-N
SMILES [H][C@]12CC[C@@]3([H])[C@]45[C@@H](O)CCC(C)(C)[C@@]4([H])[C@H](O)[C@@](O)(O[C@H]5OC)[C@]3([C@@H]1O)C(=O)C2=C
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 Rabdoternin E (CHEBI:67680) has role metabolite (CHEBI:25212)
Rabdoternin E (CHEBI:67680) is a kaurane diterpenoid (CHEBI:53666)
Manual Xref Database
23311656 ChemSpider
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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:acetal(CHEBI:59769);