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.
zoom in



OrganismCamellia oleifera
ReferenceYoshida, T. et al., Chem. Pharm. Bull., 1990, 38, 2681 (struct, cd, pmr, cmr)