input word = C00022929

Metabolite InformationStructural formula
Name Mimulaxanthin
(3S,3'S,5R,5'R,6R,6'R)-6,6',7,7'-Tetradehydro-5,5',6,6'-tetrahydro-3,3',5,5'-tetrahydroxy-beta,beta-carotene
Formula C40H56O4
Mw 600.41786028
CAS RN 35804-89-8
C_ID C00022929 ,
InChIKey GBFUJSDSAPGLBF-DRUJBEFJNA-N
InChICode InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35-37(5,6)25-33(41)27-39(35,9)43)15-11-12-16-30(2)18-14-20-32(4)22-24-36-38(7,8)26-34(42)28-40(36,10)44/h11-22,33-34,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t23-,24+,33-,34-,39+,40+/m0/s1
SMILES C1[C@@H](C[C@](C(=C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C=C2C(C[C@@H](C[C@@]2(C)O)O)(C)C)\C)\C)/C)/C)C1(C)C)(O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLamium montanum Ref.
PlantaePhrymaceaeMimulus guttatus Ref.
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