input word = C00022840

Metabolite InformationStructural formula
Name Allopurpurin
Tedaniaxanthin
(3R)-7,8-Didehydro-beta,khi-caroten-3-ol
Formula C40H50O
Mw 546.38616622
CAS RN 63893-29-8
C_ID C00022840 ,
InChIKey SIBBLZCWSMCOKD-IIBCZTRONA-N
InChICode InChI=1S/C40H50O/c1-29(17-13-19-31(3)21-24-37-25-23-33(5)35(7)36(37)8)15-11-12-16-30(2)18-14-20-32(4)22-26-39-34(6)27-38(41)28-40(39,9)10/h11-21,23-25,38,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,24-21+,29-15+,30-16+,31-19+,32-20+/t38-/m1/s1
SMILES CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/c2ccc(C)c(C)c2C)C(C)(C)C[C@H](O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Microciona prolifera Ref.
--Tedania digitata Ref.
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