CHEBI:80794 - Arundoin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Arundoin
ChEBI ID CHEBI:80794
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C31H52O
Net Charge 0
Average Mass 440.74400
Monoisotopic Mass 440.40182
InChI InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23+,24+,25-,26+,28-,29-,30-,31+/m1/s1
InChIKey MRNPHCMRIQYRFU-KXUMSINMSA-N
SMILES CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C2=CC[C@@]2(C)[C@@H]4CC[C@H](C(C)C)[C@@]4(C)CC[C@]32C)C1(C)C
ChEBI Ontology
Outgoing Arundoin (CHEBI:80794) is a triterpenoid (CHEBI:36615)
Manual Xref Database
C16916 KEGG COMPOUND
View more database links