input word = C00054129

Metabolite InformationStructural formula
Name 3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione
Formula C40H52O4
Mw 596.38656015
CAS RN 7542-45-2
C_ID C00054129
InChIKey MQZIGYBFDRPAKN-HDQLMXHPSA-N
InChICode InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
SMILES CC(CC1O)(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)CC2O)=C(C)C2=O)=C(C)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pandalus borealis Ref.
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