input word = C00031490

Metabolite InformationStructural formula
Name 10-Hydroxycascaroside C
(-)-10-Hydroxycascaroside C
Formula C27H32O14
Mw 580.17920573
CAS RN 740838-53-3
C_ID C00031490 ,
InChIKey BHCKOSBGQAWGRY-JZSSTJAENA-N
InChICode InChI=1S/C27H32O14/c1-9-5-11-16(12(30)6-9)20(33)17-10(27(11,38)25-23(36)21(34)18(31)14(7-28)39-25)3-2-4-13(17)40-26-24(37)22(35)19(32)15(8-29)41-26/h2-6,14-15,18-19,21-26,28-32,34-38H,7-8H2,1H3/t14-,15-,18-,19-,21+,22+,23-,24-,25-,26-,27-/m1/s1
SMILES c12c(C(=O)c3c([C@@]1([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)cccc3O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)c(cc(c2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum emodi Ref.
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