input word = C00005720

Metabolite InformationStructural formula
Name Limocitrin 3,7-diglucoside
Formula C29H34O18
Mw 670.17451429
CAS RN 111133-91-6
C_ID C00005720 ,
InChIKey ONQXOUJKDHFADF-CSGJUHDGNA-N
InChICode InChI=1S/C29H34O18/c1-41-12-5-9(3-4-10(12)32)24-27(47-29-23(40)21(38)18(35)15(8-31)45-29)19(36)16-11(33)6-13(25(42-2)26(16)46-24)43-28-22(39)20(37)17(34)14(7-30)44-28/h3-6,14-15,17-18,20-23,28-35,37-40H,7-8H2,1-2H3/t14-,15-,17-,18-,20+,21+,22+,23-,28-,29+/m1/s1
SMILES COc1cc(-c2oc3c(OC)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSedum acre Ref.
PlantaeCrassulaceaeSedum alfredi Ref.
PlantaeCrassulaceaeSedum sarmentosum Ref.
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