input word = C00022802

Metabolite InformationStructural formula
Name (6S)-5,18-Didehydro-5,6-dihydro-beta,beta-carotene
(6'S)-beta,gamma-Carotene
Formula C40H56
Mw 536.43820179
CAS RN 64129-93-7
C_ID C00022802 ,
InChIKey AFQPSLVGGMCBOR-BYORDMDQNA-N
InChICode InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28,37H,5,15-16,23-24,29-30H2,1-4,6-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m1/s1
SMILES C(=C\C1=C(CCCC1(C)C)C)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@H]1C(CCCC1=C)(C)C)\C)\C)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaCoccinellidaeCoccinella septempunctata Ref.
FungiCaloscyphaceaeCaloscypha fulgens Ref.
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