input word = C00063750

Metabolite InformationStructural formula
Name Scropolioside F
Formula C30H38O16
Mw 654.21598517
CAS RN 126722-05-2
C_ID C00063750
InChIKey WYUMOABRAAEBAO-XMIJWRSESA-N
InChICode InChI=1S/C30H38O16/c1-12-24(43-17(34)7-4-13-2-5-14(33)6-3-13)21(37)23(39)28(41-12)44-25-15-8-9-40-27(18(15)30(11-32)26(25)46-30)45-29-22(38)20(36)19(35)16(10-31)42-29/h2-9,12,15-16,18-29,31-33,35-39H,10-11H2,1H3/b7-4+/t12-,15+,16+,18+,19+,20-,21-,22+,23+,24-,25-,26-,27-,28-,29-,30+/m0/s1
SMILES CC1OC(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)C(O)C(O)C1OC(=O)C=Cc1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia dentata Ref.
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