input word = C00059045

Metabolite InformationStructural formula
Name Camptothin A
Formula C61H46O40
Mw 1418.15653636
CAS RN 105581-32-6
C_ID C00059045
InChIKey UFYKWHOUDUSOMB-UHFFFAOYSA-N
InChICode InChI=1S/C61H46O40/c62-10-29(72)51(98-55(87)14-1-21(64)38(75)22(65)2-14)52-30(73)12-94-58(90)17-6-26(69)41(78)46(83)35(17)37-19(60(92)99-52)9-32(44(81)48(37)85)96-50-20(8-28(71)43(80)49(50)86)61(93)97-33(11-63)54(101-56(88)15-3-23(66)39(76)24(67)4-15)53-31(74)13-95-57(89)16-5-25(68)40(77)45(82)34(16)36-18(59(91)100-53)7-27(70)42(79)47(36)84/h1-11,29-31,33,51-54,64-86H,12-13H2
SMILES O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(Oc3c(C(=O)OC(C=O)C(OC(=O)c4cc(O)c(O)c(O)c4)C4OC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)OCC4O)cc(O)c(O)c3O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
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