input word = C00059987

Metabolite InformationStructural formula
Name Cornuside II
Formula C34H50O20
Mw 778.28954404
CAS RN 146367-75-1
C_ID C00059987
InChIKey PVQSSYWOIOEIPR-UHFFFAOYSA-N
InChICode InChI=1S/C34H50O20/c1-11-17(36)5-13-15(29(43)45-3)8-48-31(21(11)13)53-34-28(42)26(40)24(38)19(52-34)10-47-20-6-14-16(30(44)46-4)9-49-32(22(14)12(2)50-20)54-33-27(41)25(39)23(37)18(7-35)51-33/h8-9,11-14,17-28,31-42H,5-7,10H2,1-4H3
SMILES COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(OCC3OC(OC4OC=C(C(=O)OC)C5CC(O)C(C)C45)C(O)C(O)C3O)CC12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
PlantaeRutaceaePhellodendron amurense Ref.
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