CHEBI:80461 - beta-Isorenieratene

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ChEBI Name beta-Isorenieratene
ChEBI ID CHEBI:80461
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C40H52
Net Charge 0
Average Mass 532.84090
Monoisotopic Mass 532.40690
InChI InChI=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+
InChIKey NMMZEYGYFYIADS-FOHJNKRASA-N
SMILES CC(\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
ChEBI Ontology
Outgoing beta-Isorenieratene (CHEBI:80461) is a carotenoid φ-end group (CHEBI:139129)
beta-Isorenieratene (CHEBI:80461) is a triterpenoid (CHEBI:36615)
Manual Xrefs Databases
C00022804 KNApSAcK
C16340 KEGG COMPOUND
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