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 OC1=CC(O)=CC2=C1C[C@@H](O)[C@H](C3=CC([C@]4(O)OC(C(O)=C(O)C=C5[C@H]6OC(C=C(O)C=C7O)=C7C[C@@H]6O)=C5[C@]3(C4(O)O)[H])=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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