input word = C00009329

Metabolite InformationStructural formula
Name Camelliatannin F
Formula C48H34O26
Mw 1026.13383126
CAS RN 154561-15-6
C_ID C00009329 ,
InChIKey QVQMITBCNKWSNM-ZRHCODPJNA-N
InChICode InChI=1S/C48H34O26/c49-15-2-1-10(3-17(15)51)38-21(55)4-11-16(50)8-23-27(39(11)70-38)29-41-42(73-46(67)14-7-20(54)33(59)36(62)26(14)28-30(47(68)72-41)48(29,74-23)43(64)37(28)63)40-22(56)9-69-44(65)12-5-18(52)31(57)34(60)24(12)25-13(45(66)71-40)6-19(53)32(58)35(25)61/h1-3,5-8,21-22,29-30,38,40-42,49-63H,4,9H2/t21-,22+,29+,30+,38-,40+,41-,42-,48+/m0/s1
SMILES O1c2c(C[C@@H]([C@@H]1c1cc(c(cc1)O)O)O)c(cc1c2[C@@H]2[C@H]3[C@H]([C@H]4[C@H](O)COC(=O)c5c(c(c(c(c5)O)O)O)c5c(cc(c(c5O)O)O)C(=O)O4)OC(=O)c4cc(c(c(c4C4=C(C(=O)[C@@]2([C@H]4C(=O)O3)O1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia japonica Ref.
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