CHEBI:168506 - (3beta,11alpha,13beta)-3,11,13-Oleananetriol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (3beta,11alpha,13beta)-3,11,13-Oleananetriol
ChEBI ID CHEBI:168506
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H52O3
Net Charge 0
Average Mass 460.743
Monoisotopic Mass 460.39165
InChI InChI=1S/C30H52O3/c1-24(2)13-14-26(5)15-16-29(8)28(7)12-9-20-25(3,4)22(32)10-11-27(20,6)23(28)19(31)17-30(29,33)21(26)18-24/h19-23,31-33H,9-18H2,1-8H3
InChIKey PVMLWBWORNCCPQ-UHFFFAOYSA-N
SMILES OC12C(C3(C(C4(C(CC3)C(C(O)CC4)(C)C)C)C(O)C1)C)(CCC5(C2CC(CC5)(C)C)C)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing (3beta,11alpha,13beta)-3,11,13-Oleananetriol (CHEBI:168506) is a triterpenoid (CHEBI:36615)
IUPAC Name
4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-3,6a,14-triol
Manual Xrefs Databases
35013735 ChemSpider
HMDB0034521 HMDB
View more database links