input word = C00022946

Metabolite InformationStructural formula
Name 5,6-Diepilatoxanthin
(3S,3'S,5S,5'R,6S,6'S)-5',6'-Epoxy-5,5',6,6'-tetrahydro-3,3',5,5'-tetrahydroxy-beta,beta-carotene
Formula C40H58O5
Mw 618.42842496
CAS RN 211937-37-0
C_ID C00022946 ,
InChIKey IHFACKVTKFGBBA-MCUURNMKNA-N
InChICode InChI=1S/C40H58O5/c1-29(17-13-19-31(3)21-23-39(44)35(5,6)25-33(41)27-37(39,9)43)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)45-40/h11-24,33-34,41-44H,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 CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=CC=CC=C(C)C=CC=C(C)C=C[C@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum var. longum Ref.
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OrganismCapsicum annuum var. longum
ReferenceDeli,Helv. Chim. Acta,81,(1998),1233