input word = C00064051

Metabolite InformationStructural formula
Name Emblicanin B
Formula C34H20O22
Mw 780.04462233
CAS RN 180465-45-6
C_ID C00064051
InChIKey JNSDMRUXOVAXNP-LOKFHWFJSA-N
InChICode InChI=1S/C34H20O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27,35-46H,5H2/t14-,27-/m1/s1
SMILES O=C1OCC2OC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c4c(O)c(O)c(O)cc4c(=O)oc3C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus niruri Ref.
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