input word = C00059637

Metabolite InformationStructural formula
Name Sculponiside
Formula C33H42O16
Mw 694.2472853
CAS RN 1315509-74-0
C_ID C00059637
InChIKey UHAABAPSHPGVDP-HLTBEEIISA-N
InChICode InChI=1S/C33H42O16/c1-16-26(39)27(40)28(41)32(45-16)49-30-29(48-25(38)10-7-18-5-8-20(36)23(14-18)43-4)24(15-34)47-33(31(30)46-17(2)35)44-12-11-19-6-9-22(42-3)21(37)13-19/h5-10,13-14,16,24,26-34,36-37,39-41H,11-12,15H2,1-4H3/b10-7+/t16-,24+,26-,27+,28+,29+,30-,31+,32-,33+/m0/s1
SMILES COc1ccc(CCOC2OC(CO)C(OC(=O)C=Cc3ccc(O)c(OC)c3)C(OC3OC(C)C(O)C(O)C3O)C2OC(C)=O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
zoom in