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 c1(c(c(c2c(c1C)O[C@@H](C[C@H]2O)c1ccc(cc1)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThelypteridaceaeAbacopteris penangiana Ref.
--Pronephrium triphyllum Ref.
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