input word = C00010631

Metabolite InformationStructural formula
Name Ladroside
Formula C26H32O13
Mw 552.18429111
CAS RN 76994-10-0
C_ID C00010631 ,
InChIKey IMGCLEIFKMJSCC-STVHKAPENA-N
InChICode InChI=1S/C26H32O13/c1-26(34)8-7-13-14(23(33)35-2)10-37-24(19(13)26)39-25-22(32)21(31)20(30)17(38-25)11-36-18(29)6-4-12-3-5-15(27)16(28)9-12/h3-6,9-10,13,17,19-22,24-25,27-28,30-32,34H,7-8,11H2,1-2H3/b6-4+/t13-,17-,19-,20-,21+,22-,24-,25-,26+/m0/s1
SMILES [C@H]1(O[C@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@H]1[C@@H]2[C@H](C(=CO1)C(=O)OC)CC[C@]2(O)C)COC(=O)/C=C/c1ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeVeronica spp. Ref.
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