input word = C00006311

Metabolite InformationStructural formula
Name Isomollupentin 7,2''-di-O-glucoside
Formula C32H38O19
Mw 726.20072904
CAS RN 72277-61-3
C_ID C00006311 ,
InChIKey DPFQJHLYLAZADP-BIJAJFRVNA-N
InChICode InChI=1S/C32H38O19/c33-7-17-22(39)25(42)27(44)31(49-17)48-16-6-15-19(12(36)5-14(47-15)10-1-3-11(35)4-2-10)24(41)20(16)29-30(21(38)13(37)9-46-29)51-32-28(45)26(43)23(40)18(8-34)50-32/h1-6,13,17-18,21-23,25-35,37-45H,7-9H2/t13-,17+,18+,21+,22+,23+,25-,26-,27+,28+,29+,30+,31+,32-/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)[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[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
PlantaeCaryophyllaceaeSpergularia rubra Ref.
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