input word = C00036659

Metabolite InformationStructural formula
Name 7''-O-beta-D-Glucopyranosylsessilifoside
Formula C32H38O18
Mw 710.20581441
CAS RN 538371-54-9
C_ID C00036659 ,
InChIKey NYMFQRBZPARUTN-IXZATYMFNA-N
InChICode InChI=1S/C32H38O18/c1-3-12-13-6-17(47-29(43)14(13)9-44-30(12)50-32-28(42)26(40)23(37)19(8-34)49-32)20-10(2)45-16-5-11(4-15(35)21(16)24(20)38)46-31-27(41)25(39)22(36)18(7-33)48-31/h3-5,9,12-13,17-19,22-23,25-28,30-37,39-42H,1,6-8H2,2H3/t12-,13-,17+,18+,19+,22-,23-,25-,26-,27+,28+,30-,31+,32-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)[C@@H]1OC(=O)C2=CO[C@H]([C@H]([C@@H]2C1)C=C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeNeonauclea sessilifolia Ref.
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OrganismNeonauclea sessilifolia
ReferenceItoh,Phytochem.,62,(2003),359