input word = C00059046

Metabolite InformationStructural formula
Name Camptothin B
Formula C75H54O48
Mw 1722.17845359
CAS RN 105581-33-7
C_ID C00059046
InChIKey NYZCNXNOCHILLX-UHFFFAOYSA-N
InChICode InChI=1S/C75H54O48/c76-14-40(62(119-66(104)17-1-26(77)46(90)27(78)2-17)61-38(89)15-113-70(108)21-9-34(85)50(94)55(99)42(21)43-22(72(110)118-61)10-35(86)51(95)56(43)100)116-74(112)25-12-37(88)53(97)59(103)60(25)115-39-13-24-45(58(102)54(39)98)44-23(11-36(87)52(96)57(44)101)73(111)120-63-41(16-114-71(24)109)117-75(123-69(107)20-7-32(83)49(93)33(84)8-20)65(122-68(106)19-5-30(81)48(92)31(82)6-19)64(63)121-67(105)18-3-28(79)47(91)29(80)4-18/h1-14,38,40-41,61-65,75,77-103H,15-16H2
SMILES O=CC(OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)OC1C(COC2=O)OC(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)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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