input word = C00008981

Metabolite InformationStructural formula
Name Triphyllin B
Formula C29H38O16
Mw 642.21598517
CAS RN 101395-03-3
C_ID C00008981 ,
InChIKey WZGAICRUQPMGRL-FTDYXWATNA-N
InChICode InChI=1S/C29H38O16/c1-10-25(44-28-23(39)21(37)19(35)16(8-31)42-28)13(7-30)27(45-29-24(40)22(38)20(36)17(9-32)43-29)18-14(34)6-15(41-26(10)18)11-2-4-12(33)5-3-11/h2-5,14-17,19-24,28-40H,6-9H2,1H3/t14-,15-,16-,17-,19+,20+,21+,22+,23-,24+,28+,29+/m1/s1
SMILES Cc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c(CO)c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c2c1O[C@@H](c1ccc(O)cc1)C[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pronephrium triphyllum Ref.
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