input word = C00059469

Metabolite InformationStructural formula
Name (1S,4aR,5R,7S,7aS)-5-[[4-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3-methoxybenzoyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methylcyclopenta[c]pyran-1-yl beta-D-glucopyranoside
Formula C29H40O16
Mw 644.23163523
CAS RN 124168-07-6
C_ID C00059469
InChIKey NXFHMWPVEFEUBC-GASYUTLHSA-N
InChICode InChI=1S/C29H40O16/c1-11-19(31)21(33)23(35)27(41-11)43-14-5-4-12(8-15(14)39-3)25(37)42-16-9-29(2,38)18-13(16)6-7-40-26(18)45-28-24(36)22(34)20(32)17(10-30)44-28/h4-8,11,13,16-24,26-28,30-36,38H,9-10H2,1-3H3/t11-,13-,16+,17+,18+,19-,20+,21+,22-,23+,24+,26-,27-,28-,29-/m0/s1
SMILES COc1cc(C(=O)OC2CC(C)(O)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23)ccc1OC1OC(C)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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