input word = C00022934

Metabolite InformationStructural formula
Name Mactraxanthin
(3S,3'S,5R,5'R,6R,6'R)-5,5',6,6'-Tetrahydro-3,3',5,5',6,6'-hexahydroxy-beta,beta-carotene
Formula C40H60O6
Mw 636.43898965
CAS RN 86105-69-3
C_ID C00022934 ,
InChIKey QOXCNWZDKKXAOL-AVWBRQSXNA-N
InChICode InChI=1S/C40H60O6/c1-29(17-13-19-31(3)21-23-39(45)35(5,6)25-33(41)27-37(39,9)43)15-11-12-16-30(2)18-14-20-32(4)22-24-40(46)36(7,8)26-34(42)28-38(40,10)44/h11-24,33-34,41-46H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40+/m0/s1
SMILES C1[C@@H](C[C@@]([C@](C1(C)C)(/C=C/C(=C/C=C/C(=C/C=C\C=C(\C=C\C=C(\C=C\[C@@]1(C(C[C@@H](C[C@@]1(C)O)O)(C)C)O)/C)/C)/C)/C)O)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaMactridaeMactra chinensis Ref.
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