input word = C00022821

Metabolite InformationStructural formula
Name Renierapurpurin
khi,khi-Carotene
Formula C40H48
Mw 528.37560153
CAS RN 6805-08-9
C_ID C00022821 ,
InChIKey UKQDELXQDGFRFW-RIRRTMASSA-N
InChICode InChI=1S/C40H48/c1-29(17-13-19-31(3)21-25-39-27-23-33(5)35(7)37(39)9)15-11-12-16-30(2)18-14-20-32(4)22-26-40-28-24-34(6)36(8)38(40)10/h11-28H,1-10H3/b12-11+,17-13+,18-14+,25-21+,26-22+,29-15+,30-16+,31-19+,32-20+
SMILES c1(c(ccc(c1C)/C=C/C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\c1c(c(c(cc1)C)C)C)/C)/C)\C)/C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Reniera japonica Ref.
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