CHEBI:69529 - spathodic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name spathodic acid
Definition A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 3, 19 and 24 (the 3β,19α stereoisomer). It has been isolated from the roots of Rubia yunnanensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H48O5
Net Charge 0
Average Mass 488.69910
Monoisotopic Mass 488.35017
InChI InChI=1S/C30H48O5/c1-25(2)13-15-30(24(34)35)16-14-28(5)18(22(30)23(25)33)7-8-20-26(3)11-10-21(32)27(4,17-31)19(26)9-12-29(20,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21+,22-,23+,26+,27-,28-,29-,30+/m1/s1
SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@@H]1O)C(O)=O
Metabolite of Species Details
Rubia yunnanensis (IPNI:765385-1) Found in root (BTO:0001188). Methanolic extract of air dried powdered roots. See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing spathodic acid (CHEBI:69529) has functional parent oleanolic acid (CHEBI:37659)
spathodic acid (CHEBI:69529) has parent hydride oleanane (CHEBI:36481)
spathodic acid (CHEBI:69529) has role plant metabolite (CHEBI:76924)
spathodic acid (CHEBI:69529) is a hydroxy monocarboxylic acid (CHEBI:35868)
spathodic acid (CHEBI:69529) is a pentacyclic triterpenoid (CHEBI:25872)
spathodic acid (CHEBI:69529) is a sapogenin (CHEBI:26606)
3β,19α,24-trihydroxyolean-12-en-28-oic acid
Registry Number Type Source
4277617 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21973054 PubMed citation Europe PMC
Last Modified
09 January 2014