input word = C00008982

Metabolite InformationStructural formula
Name Triphyllin A
Formula C30H40O16
Mw 656.23163523
CAS RN 101395-02-2
C_ID C00008982 ,
InChIKey KIOGDCNEFKPDDB-QWWDNLDXNA-N
InChICode InChI=1S/C30H40O16/c1-11-26(45-29-24(39)22(37)20(35)17(9-32)43-29)14(8-31)28(46-30-25(40)23(38)21(36)18(10-33)44-30)19-15(34)7-16(42-27(11)19)12-3-5-13(41-2)6-4-12/h3-6,15-18,20-25,29-40H,7-10H2,1-2H3/t15-,16+,17-,18+,20-,21-,22+,23+,24-,25-,29+,30+/m1/s1
SMILES COc1ccc([C@H]2C[C@H](O)c3c(c(C)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(CO)c3O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)O2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThelypteridaceaeAbacopteris penangiana Ref.
--Pronephrium triphyllum Ref.
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