input word = C00005291

Metabolite InformationStructural formula
Name Kaempferide 3,7-diglucoside
Formula C28H32O16
Mw 624.16903498
CAS RN 89764-19-2
C_ID C00005291 ,
InChIKey XLQNRISTRCEITF-PIHYUUDINA-N
InChICode InChI=1S/C28H32O16/c1-39-11-4-2-10(3-5-11)25-26(44-28-24(38)22(36)19(33)16(9-30)43-28)20(34)17-13(31)6-12(7-14(17)41-25)40-27-23(37)21(35)18(32)15(8-29)42-27/h2-7,15-16,18-19,21-24,27-33,35-38H,8-9H2,1H3/t15-,16+,18+,19+,21-,22-,23-,24+,27+,28-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(cc1)OC)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
PlantaeAspleniaceaeAsplenium bulbiferum Ref.
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