input word = C00006220

Metabolite InformationStructural formula
Name Neosaponarin
Formula C27H30O15
Mw 594.15847029
CAS RN 72059-32-6
C_ID C00006220 ,
InChIKey HGUVPEBGCAVWID-MGKWLSBYNA-N
InChICode InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25(38)23(36)20(33)16(8-29)42-27)6-13-17(21(18)34)11(31)5-12(39-13)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2/t15-,16-,19+,20-,22-,23-,24+,25+,26-,27+/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeMelandrium album Ref.
PlantaeCaryophyllaceaeSilene pratensis Ref.
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