input word = C00056912

Metabolite InformationStructural formula
Name Pinocembrin 7-rutinoside
Formula C27H32O13
Mw 564.18429111
CAS RN 118985-31-2
C_ID C00056912
InChIKey PQLZKKGWODLKAD-ZNVAOITBSA-N
InChICode InChI=1S/C27H32O13/c1-11-20(30)22(32)24(34)26(37-11)36-10-18-21(31)23(33)25(35)27(40-18)38-13-7-14(28)19-15(29)9-16(39-17(19)8-13)12-5-3-2-4-6-12/h2-8,11,16,18,20-28,30-35H,9-10H2,1H3/t11-,16?,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
SMILES O[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1OC[C@H]2O[C@@H](OC3=CC(O)=C(C(CC(C4=CC=CC=C4)O5)=O)C5=C3)[C@H](O)[C@@H](O)[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeLitchi chinensis Ref.
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