input word = C00054945

Metabolite InformationStructural formula
Name Dehydrotheasinensin C
Formula C30H26O15
Mw 626.12717016
CAS RN 894417-13-1
C_ID C00054945
InChIKey REVJJHCUBHSJBR-OAGBBPJOSA-N
InChICode InChI=1S/C30H26O15/c31-9-1-15(33)11-5-18(36)26(43-20(11)3-9)13-7-17(35)25(39)28-23(13)24-14(8-22(38)30(42,45-28)29(24,40)41)27-19(37)6-12-16(34)2-10(32)4-21(12)44-27/h1-4,7-8,18-19,24,26-27,31-37,39-42H,5-6H2/t18-,19+,24-,26+,27-,30-/m0/s1
SMILES O=C1C=C([C@@H]2Oc3cc(O)cc(O)c3C[C@H]2O)[C@H]2c3c([C@H]4Oc5cc(O)cc(O)c5C[C@@H]4O)cc(O)c(O)c3O[C@]1(O)C2(O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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