CHEBI:71347 - anagalligenin A

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ChEBI Name anagalligenin A
ChEBI ID CHEBI:71347
Definition A hexacyclic triterpenoid that is an oleanane substituted by an epoxy group between positions 13 and 28 and by hydroxy groups at positions 3, 16, 22 and 28 respectively (the 3β,16α,22α stereoisomer). It is isolated from the whole plant of Anagallis arvensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H50O5
Net Charge 0
Average Mass 490.71500
Monoisotopic Mass 490.36582
InChI InChI=1S/C30H50O5/c1-24(2)14-19-29-13-9-18-26(5)11-10-20(31)25(3,4)17(26)8-12-27(18,6)28(29,7)16-22(33)30(19,21(32)15-24)23(34)35-29/h17-23,31-34H,8-16H2,1-7H3/t17-,18+,19-,20-,21-,22+,23+,26-,27+,28-,29-,30-/m0/s1
InChIKey HUTBSECGWQRLCI-OWYJUUJQSA-N
SMILES [H][C@]1(O)CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC[C@]24O[C@@H](O)[C@@]5([C@@H](O)CC(C)(C)C[C@@]25[H])[C@H](O)C[C@@]34C)C1(C)C
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 anagalligenin A (CHEBI:71347) has parent hydride oleanane (CHEBI:36481)
anagalligenin A (CHEBI:71347) has role metabolite (CHEBI:25212)
anagalligenin A (CHEBI:71347) is a cyclic ether (CHEBI:37407)
anagalligenin A (CHEBI:71347) is a hexacyclic triterpenoid (CHEBI:70994)
anagalligenin A (CHEBI:71347) is a lactol (CHEBI:38131)
anagalligenin A (CHEBI:71347) is a secondary alcohol (CHEBI:35681)
anagalligenin A (CHEBI:71347) is a tetrol (CHEBI:33573)
Incoming capilliposide B (CHEBI:65574) has functional parent anagalligenin A (CHEBI:71347)
IUPAC Name
(3β,16α,22α)-13,28-epoxyoleanane-3,16,22,28-tetrol
Citation Waiting for Citations Type Source
16595968 PubMed citation Europe PMC
Last Modified
05 December 2012
General Comment
2012-12-05 Phytochemistry 1992, Volume 31, Issue 3, Pages 929-933