input word = C00023054

Metabolite InformationStructural formula
Name Isomytiloxanthin
(3'R,5R,6R)-7,8-Didehydro-5',6',7',8'-tetrahydro-3',8'-dioxo-beta,beta-carotene-3,6'-diol
Formula C40H54O4
Mw 598.40221021
CAS RN 50906-60-0
C_ID C00023054 ,
InChIKey BNDHJHDWBOVXQE-FHTPWTRJNA-N
InChICode InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)25-38(36,7)8)15-11-12-16-29(2)19-14-20-31(4)37(43)27-40(44)33(6)24-35(42)26-39(40,9)10/h11-20,33-34,41,44H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t33-,34-,40-/m1/s1
SMILES [C@]1(CC(=O)/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
--Mytilus edulis Ref.
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OrganismMytilus edulis
ReferenceKhare,Tetrahedron Lett.,40,(1973),3921Khare,J. Chem. Soc. Perkin Trans. I,(1988),1389