input word = C00048330

Metabolite InformationStructural formula
Name beta-Peltatin-O-beta-D-glucopyranoside
Formula C28H32O13
Mw 576.18429111
CAS RN 11024-59-2
C_ID C00048330 ,
InChIKey PAIASCMUTMHGHU-QMKFUUQTNA-N
InChICode InChI=1S/C28H32O13/c1-34-15-5-11(6-16(35-2)25(15)36-3)19-13-7-17-26(39-10-38-17)24(14(13)4-12-9-37-27(33)20(12)19)41-28-23(32)22(31)21(30)18(8-29)40-28/h5-7,12,18-23,28-32H,4,8-10H2,1-3H3/t12-,18+,19+,20+,21+,22-,23+,28-/m0/s1
SMILES [C@H]12[C@H]([C@@H](c3c(C1)c(c1c(c3)OCO1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1cc(c(c(c1)OC)OC)OC)C(=O)OC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBurseraceaeBursera simaruba Ref.
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