input word = C00014108

Metabolite InformationStructural formula
Name 8-C-beta-D-Xylopyranosylchrysoeriol 4'-O-acetyl 2''-O-glucoside
Formula C29H32O16
Mw 636.16903498
CAS RN 381734-32-3
C_ID C00014108 ,
InChIKey QDFWFXXLFSJUMJ-XKNDDAQINA-N
InChICode InChI=1S/C29H32O16/c1-10(31)42-16-4-3-11(5-18(16)40-2)17-7-14(34)20-12(32)6-13(33)21(26(20)43-17)27-28(22(36)15(35)9-41-27)45-29-25(39)24(38)23(37)19(8-30)44-29/h3-7,15,19,22-25,27-30,32-33,35-39H,8-9H2,1-2H3/t15-,19-,22+,23-,24+,25-,27-,28+,29+/m1/s1
SMILES c1(oc2c(c(=O)c1)c(cc(c2[C@@H]1[C@H]([C@H]([C@@H](CO1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)c1cc(c(cc1)OC(=O)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeScleranthus uncinatus Ref.
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OrganismScleranthus uncinatus
ReferenceYayli,Phytochem.,58,(2001),607