input word = C00013266

Metabolite InformationStructural formula
Name Pneumatopterin A
4'-Demethoxytriphyllin A
bis-(2S,4R)-3,4-dihydro-4-hydroxy-6-(hydroxymethyl)-8-methyl-2-phenyl-2H-1-benzopyran-5,7-diyl beta-D-Glucopyranoside
Formula C29H38O15
Mw 626.22107055
CAS RN 192643-12-2
C_ID C00013266 ,
InChIKey ADJGLONWRMEELF-PEYLMWMWNA-N
InChICode InChI=1S/C29H38O15/c1-11-25(43-28-23(38)21(36)19(34)16(9-31)41-28)13(8-30)27(44-29-24(39)22(37)20(35)17(10-32)42-29)18-14(33)7-15(40-26(11)18)12-5-3-2-4-6-12/h2-6,14-17,19-24,28-39H,7-10H2,1H3/t14-,15-,16+,17+,19-,20-,21-,22-,23+,24-,28-,29-/m0/s1
SMILES [C@@H]1(Oc2c([C@H](C1)O)c(c(c(c2C)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)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThelypteridaceaePneumatopteris pennigera Ref.
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