input word = C00055533

Metabolite InformationStructural formula
Name Camellioferin A
Formula C75H52O48
Mw 1720.16280353
CAS RN 159935-08-7
C_ID C00055533
InChIKey UQZOEGGMYQJSEI-UHFFFAOYSA-N
InChICode InChI=1S/C75H52O48/c76-12-36-62(119-72(110)21-9-32(85)49(93)56(100)41(21)39-18(70(108)116-36)6-29(82)47(91)54(39)98)61-34(87)13-113-69(107)22-11-35(52(96)58(102)43(22)42-19(71(109)118-61)7-30(83)50(94)57(42)101)115-60-23(10-33(86)51(95)59(60)103)74(112)122-65-64(121-66(104)15-1-24(77)44(88)25(78)2-15)63-37(117-75(65)123-67(105)16-3-26(79)45(89)27(80)4-16)14-114-68(106)17-5-28(81)46(90)53(97)38(17)40-20(73(111)120-63)8-31(84)48(92)55(40)99/h1-12,34,36-37,61-65,75,77-103H,13-14H2
SMILES O=C1OCC(OC2OC(C3=CC(O)=C(O)C(O)=C3)=O)C(C(OC(C4=CC(O)=C(O)C(O)=C4)=O)C2OC(C5=CC(O)=C(O)C(O)=C5OC6=CC(C(OCC(O)C(C(OC7=O)C(C=O)OC(C(C=C(O)C(O)=C8O)=C8C9=C7C=C(O)C(O)=C9O)=O)OC(C%10=C%11C(O)=C(O)C(O)=C%10)=O)=O)=C%11C(O)=C6O)=O)OC(C%12=C(C(O)=C(O)C(O)=C%12)C%13=C1C=C(O)C(O)=C%13O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia oleifera Ref.
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