input word = C00046458

Metabolite InformationStructural formula
Name Tercatain
Formula C34H26O22
Mw 786.09157252
CAS RN 103744-87-2
C_ID C00046458 ,
InChIKey NALYUPYCMXELRP-UHFFFAOYNA-N
InChICode InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)54-28-18-7-52-32(50)10-5-16(39)23(43)25(45)19(10)20-11(6-17(40)24(44)26(20)46)33(51)55-29(28)27(47)34(53-18)56-31(49)9-3-14(37)22(42)15(38)4-9/h1-6,18,27-29,34-47H,7H2/t18-,27+,28-,29-,34+/m0/s1
SMILES c1(c(c(cc2c1c1c(C(=O)O[C@H]3[C@H]([C@H](O[C@@H](COC2=O)[C@@H]3OC(=O)c2cc(c(c(c2)O)O)O)OC(=O)c2cc(c(c(c2)O)O)O)O)cc(c(c1O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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