CHEBI:69314 - tsangibeilin B, rel-

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ChEBI Name tsangibeilin B, rel-
ChEBI ID CHEBI:69314
Definition A natural product found in Beilschmiedia tsangii.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H22O4
Net Charge 0
Average Mass 350.40770
Monoisotopic Mass 350.15181
InChI InChI=1S/C22H22O4/c23-22(24)15-3-2-12-9-17-16(14-5-4-13(15)20(12)21(14)17)7-11-1-6-18-19(8-11)26-10-25-18/h1-6,8,12-17,20-21H,7,9-10H2,(H,23,24)/t12-,13+,14-,15-,16-,17+,20-,21-/m1/s1
InChIKey DXINWPCQBUXMER-STJBOKOVSA-N
SMILES [H][C@]12C[C@@]3([H])[C@H](Cc4ccc5OCOc5c4)[C@@]4([H])C=C[C@@]([H])([C@@H](C=C1)C(O)=O)[C@]2([H])[C@@]34[H]
Metabolite of Species Details
Beilschmiedia tsangii (IPNI:462970-1) Found in root (BTO:0001188). Cold MeOH extract of dry and sliced roots 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 tsangibeilin B, rel- (CHEBI:69314) has role metabolite (CHEBI:25212)
tsangibeilin B, rel- (CHEBI:69314) is a benzodioxoles (CHEBI:38298)
Synonym Source
rel-(1S,1aS,2aS,5R,5aR,7aR,7bS,7cS)-1-(1,3-Benzodioxol-5-ylmethyl)-1a,2,2a,5,5a,7a,7b,7c-octahydro-1H-cyclobuta[bc]acenaphthylene-5-carboxylic acid ChEBI
Citation Waiting for Citations Type Source
21846089 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:benzenoid aromatic compound(CHEBI:33836); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:monocarboxylic acid(CHEBI:25384); ISA:acetal(CHEBI:59769); ISA:carbonyl compound(CHEBI:36586);