input word = C00060678

Metabolite InformationStructural formula
Name (-)-Epigallocatechin-(4beta-8)-(-)-epicatechin
Formula C30H26O13
Mw 594.13734092
CAS RN 201357-22-4
C_ID C00060678
InChIKey ZYDDITZPGFXQSD-GYPOYYOSSA-N
InChICode InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(11-4-19(37)26(40)20(38)5-11)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,21,25,27-29,31-41H,8H2/t21-,25-,27-,28-,29-/m1/s1
SMILES Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeRhododendron sp. Ref.
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OrganismRhododendron sp.
Referencehttps://doi.org/10.1002/jms.2954