input word = C00006382

Metabolite InformationStructural formula
Name Neoschaftoside
Formula C26H28O14
Mw 564.14790561
CAS RN 61328-41-4
C_ID C00006382 ,
InChIKey MMDUKUSNQNWVET-JTQUFEMGNA-N
InChICode InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18-,21+,22-,23-,25-,26+/m1/s1
SMILES c1(c(c(c2c(c1[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)oc(cc2=O)c1ccc(cc1)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
PlantaeAsteraceaeArtemisia judaica Ref.
PlantaeAsteraceaeCatananche caerulea Ref.
PlantaeAsteraceaeFlourensia cernua Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaeViolaceaeViola yedoensis Ref.
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