CHEBI:80461 - beta-Isorenieratene

ChEBI IDCHEBI:80461
ChEBI Namebeta-Isorenieratene
Stars
DownloadsMolfile
FormulaC40H52
Net Charge0
Average Mass532.856
Monoisotopic Mass532.40690
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/c2c(C)ccc(C)c2C)C(C)(C)CCC1
InChIInChI=1S/C40H52/c1-30(18-13-20-32(3)23-27-38-35(6)26-25-34(5)37(38)8)16-11-12-17-31(2)19-14-21-33(4)24-28-39-36(7)22-15-29-40(39,9)10/h11-14,16-21,23-28H,15,22,29H2,1-10H3/b12-11+,18-13+,19-14+,27-23+,28-24+,30-16+,31-17+,32-20+,33-21+
InChIKeyNMMZEYGYFYIADS-FOHJNKRASA-N
ChEBI Ontology
Outgoing Relation(s)
beta-Isorenieratene (CHEBI:80461) is a carotenoid φ-end group (CHEBI:139129)
beta-Isorenieratene (CHEBI:80461) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C00022804KNApSAcK
C16340KEGG COMPOUND