CHEBI:176202 - Oryzanol A

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 Oryzanol A
ChEBI ID CHEBI:176202
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H58O4
Net Charge 0
Average Mass 602.900
Monoisotopic Mass 602.43351
InChI InChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+
InChIKey FODTZLFLDFKIQH-GHRIWEEISA-N
SMILES O(C1C(C2C3(C4(C3)C(C5(C(CC4)(C(CC5)C(CCC=C(C)C)C)C)C)CC2)CC1)(C)C)C(=O)/C=C/C6=CC(OC)=C(O)C=C6
ChEBI Ontology
Outgoing Oryzanol A (CHEBI:176202) is a triterpenoid (CHEBI:36615)
IUPAC Name
[7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual Xrefs Databases
11226995 ChemSpider
HMDB0035891 HMDB
View more database links