input word = C00006188

Metabolite InformationStructural formula
Name Neocarlinoside
Formula C26H28O15
Mw 580.14282023
CAS RN 83151-89-7
C_ID C00006188 ,
InChIKey XBGYTZHKGMCEGE-JTQUFEMGNA-N
InChICode InChI=1S/C26H28O15/c27-5-13-18(33)21(36)23(38)26(41-13)15-19(34)14-10(30)4-12(7-1-2-8(28)9(29)3-7)40-24(14)16(20(15)35)25-22(37)17(32)11(31)6-39-25/h1-4,11,13,17-18,21-23,25-29,31-38H,5-6H2/t11-,13+,17-,18+,21-,22-,23+,25-,26-/m0/s1
SMILES c1(c(c(c2c(c1[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)oc(cc2=O)c1cc(c(cc1)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLespedeza capitata Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaePoaceaeSaccharum sp. Ref.
--Radula complanata Ref.
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