input word = C00061141

Metabolite InformationStructural formula
Name Mudanpioside J
Formula C31H34O14
Mw 630.1948558
CAS RN 262350-52-7
C_ID C00061141
InChIKey WQDKJKKWQBBKSZ-DYMNNOMASA-N
InChICode InChI=1S/C31H34O14/c1-28-13-30(38)20-11-31(28,29(20,27(44-28)45-30)14-41-24(36)15-6-4-3-5-7-15)43-26-23(35)22(34)21(33)19(42-26)12-40-25(37)16-8-9-17(32)18(10-16)39-2/h3-10,19-23,26-27,32-35,38H,11-14H2,1-2H3/t19-,20-,21-,22+,23-,26+,27-,28+,29+,30-,31+/m1/s1
SMILES COc1cc(C(=O)OCC2OC(OC34CC5C6(O)CC3(C)OC(O6)C54COC(=O)c3ccccc3)C(O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
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