input word = C00009114

Metabolite InformationStructural formula
Name Gallocatechin-(4alpha->6)-gallocatechin
Formula C30H26O14
Mw 610.13225554
CAS RN 148905-65-1
C_ID C00009114 ,
InChIKey ZBDVURIHQLTXMS-NNWHBPBWNA-N
InChICode InChI=1S/C30H26O14/c31-11-5-13(32)22-21(6-11)44-30(10-3-17(36)27(41)18(37)4-10)28(42)24(22)23-14(33)8-20-12(25(23)39)7-19(38)29(43-20)9-1-15(34)26(40)16(35)2-9/h1-6,8,19,24,28-42H,7H2/t19-,24+,28-,29+,30+/m0/s1
SMILES c1c(cc(c(c1O)O)O)[C@H]1Oc2c(C[C@@H]1O)c(c(c(c2)O)[C@@H]1[C@@H]([C@H](Oc2c1c(cc(c2)O)O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus incanus Ref.
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