input word = C00048244

Metabolite InformationStructural formula
Name (3'Z,5'Z)-Torulene
Formula C40H54
Mw 534.42255172
CAS RN 1172110-65-4
C_ID C00048244 ,
InChIKey AIBOHNYYKWYQMM-NALUWMLISA-N
InChICode InChI=1S/C40H54/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-16,18-27,29-30H,17,28,31H2,1-10H3/b12-11+,21-13-,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24-,36-25+,37-27+
SMILES C1CCC(C(=C1C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C)\C=C/C=C(C)C)\C)\C)/C)/C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCelastrus orbiculatus Ref.
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