input word = C00064054

Metabolite InformationStructural formula
Name Scrodentoside C
Formula C25H38O12
Mw 530.23632668
CAS RN 1807807-54-0
C_ID C00064054
InChIKey OGDYYPPNPHMQJW-YZOFJXMMSA-N
InChICode InChI=1S/C25H38O12/c1-5-23(3,31)8-6-7-13(2)20(30)35-12-14-16(27)17(28)18(29)21(36-14)37-22-19-24(4,32)11-15(26)25(19,33)9-10-34-22/h5,7,9-10,14-19,21-22,26-29,31-33H,1,6,8,11-12H2,2-4H3/b13-7+/t14-,15-,16-,17+,18-,19-,21+,22+,23?,24+,25-/m1/s1
SMILES C=CC(C)(O)CCC=C(C)C(=O)OCC1OC(OC2OC=CC3(O)C(O)CC(C)(O)C23)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia dentata Ref.
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