input word = C00022954

Metabolite InformationStructural formula
Name Cucurbitaxanthin B
(3S,3'S,5R,5'R,6R,6'S)-3,6:4',5'-Diepoxy-5,5',6,6'-tetrahydro-3',5-dihydroxy-beta,beta-carotene
Formula C40H56O4
Mw 600.41786028
CAS RN 107390-61-4
C_ID C00022954 ,
InChIKey WBXYNQBROQPCES-QBPHOBMCNA-N
InChICode InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-36(7,8)27-34(43-39)28-37(39,9)42)15-11-12-16-30(2)18-14-20-32(4)22-24-40-35(5,6)25-33(41)26-38(40,10)44-40/h11-24,33-34,41-42H,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@@]2([C@@](C1(C)C)(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@@]13C(C[C@@H](C[C@@]1(C)O)O3)(C)C)\C)\C)/C)/C)O2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucurbita maxima Ref.
PlantaeCucurbitaceaeCucurbita sp. Ref.
PlantaeSolanaceaeCapsicum annuum var. longum Ref.
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