input word = C00049669

Metabolite InformationStructural formula
Name Sibiricose A2
Formula C24H34O15
Mw 562.18977042
CAS RN 241125-72-4
C_ID C00049669 ,
InChIKey AOLXCIMAVBSZMY-UBISEAPJNA-N
InChICode InChI=1S/C24H34O15/c1-33-12-6-11(7-13(34-2)21(12)35-3)4-5-16(27)36-9-15-17(28)19(30)20(31)23(37-15)39-24(10-26)22(32)18(29)14(8-25)38-24/h4-7,14-15,17-20,22-23,25-26,28-32H,8-10H2,1-3H3/b5-4+/t14-,15-,17-,18-,19+,20-,22+,23-,24+/m1/s1
SMILES O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@]1(O[C@@H]([C@H]([C@@H]1O)O)CO)CO)COC(=O)/C=C/c1cc(c(c(c1)OC)OC)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala sibirica Ref.
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