input word = C00046028

Metabolite InformationStructural formula
Name Interiotherin B
Formula C27H30O9
Mw 498.18898256
CAS RN 181701-07-5
C_ID C00046028 ,
InChIKey KIOQRWNZGHZFHB-NTUHNPAUNA-N
InChICode InChI=1S/C27H30O9/c1-7-13(2)26(28)36-25-16-10-18-22(35-12-33-18)24(31-6)20(16)19-15(8-14(3)27(25,4)29)9-17-21(23(19)30-5)34-11-32-17/h7,9-10,14,25,29H,8,11-12H2,1-6H3/b13-7+/t14-,25-,27-/m1/s1
SMILES C1Oc2c(O1)c(c1c(c2)C[C@H]([C@]([C@@H](c2c1c(c1c(c2)OCO1)OC)OC(=O)/C(=C/C)/C)(O)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeKadsura interior Ref.
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