input word = C00006307

Metabolite InformationStructural formula
Name Linoside A
Formula C32H38O16
Mw 678.21598517
CAS RN 39040-82-9
C_ID C00006307 ,
InChIKey QRFPSEZAOACTEJ-VDRVRZHTNA-N
InChICode InChI=1S/C32H38O16/c1-12-24(35)27(38)29(40)32(45-12)48-31-28(39)25(36)21(11-44-13(2)33)47-30(31)23-19(43-5)10-20-22(26(23)37)15(34)9-17(46-20)14-6-7-16(41-3)18(8-14)42-4/h6-10,12,21,24-25,27-32,35-40H,11H2,1-5H3/t12-,21+,24+,25+,27+,28+,29-,30+,31-,32+/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1cc(c(cc1)OC)OC)O)[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)COC(=O)C)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLinaceaeLinum maritimum Ref.
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