input word = C00006317

Metabolite InformationStructural formula
Name Isoorientin 3'-O-sophoroside
Formula C33H40O21
Mw 772.20620834
CAS RN 102149-00-8
C_ID C00006317 ,
InChIKey PGJDQQSZDGMHNC-HBYCAVECNA-N
InChICode InChI=1S/C33H40O21/c34-6-16-21(40)25(44)28(47)30(50-16)20-12(39)5-15-19(24(20)43)11(38)4-13(49-15)9-1-2-10(37)14(3-9)51-33-31(27(46)23(42)18(8-36)53-33)54-32-29(48)26(45)22(41)17(7-35)52-32/h1-5,16-18,21-23,25-37,39-48H,6-8H2/t16-,17-,18+,21-,22-,23-,25+,26+,27+,28-,29-,30+,31-,32+,33-/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(c(c1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMniaceaePlagiomnium affine Ref.
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