input word = C00054545

Metabolite InformationStructural formula
Name Camelliatannin H
Formula C68H48O44
Mw 1568.15184491
CAS RN 148159-86-8
C_ID C00054545
InChIKey RRODZFPITHCTAP-UHFFFAOYSA-N
InChICode InChI=1S/C68H48O44/c69-10-33(59(111-61(96)14-1-22(71)41(81)23(72)2-14)57-30(79)12-104-62(97)15-3-24(73)42(82)49(89)35(15)37-17(65(100)109-57)5-26(75)44(84)51(37)91)108-68(103)21-8-29(78)47(87)55(95)56(21)106-32-9-20-40(54(94)48(32)88)39-19(7-28(77)46(86)53(39)93)67(102)112-60(34(11-70)107-64(20)99)58-31(80)13-105-63(98)16-4-25(74)43(83)50(90)36(16)38-18(66(101)110-58)6-27(76)45(85)52(38)92/h1-11,30-31,33-34,57-60,71-95H,12-13H2
SMILES O=C(C1=CC(OC2=C(O)C(O)=C(O)C=C2C(OC(C=O)C(OC(C3=CC(O)=C(O)C(O)=C3)=O)C(O4)C(O)COC(C5=CC(O)=C(O)C(O)=C5C6=C(O)C(O)=C(O)C=C6C4=O)=O)=O)=C(O)C(O)=C1C7=C(O)C(O)=C(O)C=C78)OC(C=O)C(C(O9)C(O)COC(C%10=CC(O)=C(O)C(O)=C%10C%11=C(O)C(O)=C(O)C=C%11C9=O)=O)OC8=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia japonica Ref.
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