input word = C00056338

Metabolite InformationStructural formula
Name Kaempferide 3-rutinoside
Formula C28H32O15
Mw 608.17412036
CAS RN 1010795-61-5
C_ID C00056338
InChIKey OJKQTHABCHOOCK-OQEXDMSBSA-N
InChICode InChI=1S/C28H32O15/c1-10-18(31)21(34)19(32)16(40-10)9-39-27-23(36)22(35)24(37)28(43-27)42-26-20(33)17-14(30)7-12(29)8-15(17)41-25(26)11-3-5-13(38-2)6-4-11/h3-8,10,16,18-19,21-24,27-32,34-37H,9H2,1-2H3/t10-,16+,18-,19+,21+,22-,23-,24+,27-,28+/m0/s1
SMILES C[C@@H]1O[C@H](CO[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC3=C(C4=CC=C(OC)C=C4)OC5=CC(O)=CC(O)=C5C3=O)O2)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeActinidiaceaeActinidia kolomikta Ref.
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OrganismActinidia kolomikta
ReferenceBrandes, R.Annalen, 1839, 32, 311-312 (Kaempferidide)