input word = C00063817

Metabolite InformationStructural formula
Name Scrodentoside H
Formula C31H40O17
Mw 684.22654986
CAS RN 135448-15-6
C_ID C00063817
InChIKey OKDURJFCTBLRIG-YXEQPJNBSA-N
InChICode InChI=1S/C31H40O17/c1-12-20(36)23(39)26(45-18(35)6-4-13-3-5-15(34)16(9-13)41-2)30(43-12)46-25-14-7-8-42-28(19(14)31(11-33)27(25)48-31)47-29-24(40)22(38)21(37)17(10-32)44-29/h3-9,12,14,17,19-30,32-34,36-40H,10-11H2,1-2H3/b6-4+/t12-,14+,17+,19+,20-,21+,22-,23+,24+,25-,26+,27-,28-,29-,30-,31+/m0/s1
SMILES COc1cc(C=CC(=O)OC2C(OC3C4C=COC(OC5OC(CO)C(O)C(O)C5O)C4C4(CO)OC34)OC(C)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia dentata Ref.
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