CHEBI:168065 - 3beta-3-Hydroxy-18-lupen-21-one

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-3-Hydroxy-18-lupen-21-one
ChEBI ID CHEBI:168065
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H48O2
Net Charge 0
Average Mass 440.712
Monoisotopic Mass 440.36543
InChI InChI=1S/C30H48O2/c1-18(2)24-20(31)17-27(5)15-16-29(7)19(25(24)27)9-10-22-28(6)13-12-23(32)26(3,4)21(28)11-14-30(22,29)8/h18-19,21-23,32H,9-17H2,1-8H3
InChIKey FLGCQFQUEPUAMZ-UHFFFAOYSA-N
SMILES OC1C(C2C(C3C(C4(C(CC3)C=5C(CC4)(CC(=O)C5C(C)C)C)C)(CC2)C)(CC1)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-3-Hydroxy-18-lupen-21-one (CHEBI:168065) is a triterpenoid (CHEBI:36615)
IUPAC Name
9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-2-one
Manual Xrefs Databases
74886421 ChemSpider
HMDB0035355 HMDB
View more database links