input word = C00035347

Metabolite InformationStructural formula
Name Nobotanin F
Formula C82H56O52
Mw 1872.17376215
CAS RN 104669-05-8
C_ID C00035347 ,
InChIKey XDXYBJAIJZFTCY-UHFFFAOYNA-N
InChICode InChI=1S/C82H56O52/c83-26-1-16(2-27(84)47(26)95)71(112)122-14-39-66(68-70(81(125-39)133-72(113)17-3-28(85)48(96)29(86)4-17)132-79(120)23-11-36(93)53(101)60(108)44(23)42-21(77(118)130-68)9-34(91)51(99)58(42)106)128-80(121)25-12-37(94)55(103)63(111)64(25)124-38-13-24-46(62(110)56(38)104)45-19(7-32(89)54(102)61(45)109)75(116)127-65-40(15-123-74(24)115)126-82(134-73(114)18-5-30(87)49(97)31(88)6-18)69-67(65)129-76(117)20-8-33(90)50(98)57(105)41(20)43-22(78(119)131-69)10-35(92)52(100)59(43)107/h1-13,39-40,65-70,81-111H,14-15H2/t39-,40+,65-,66+,67-,68-,69-,70-,81+,82+/m1/s1
SMILES O(c1c(cc(c(c1O)O)O)C(=O)O[C@H]1[C@H](O[C@H]([C@H]2[C@@H]1OC(=O)c1c(c3c(C(=O)O2)cc(c(c3O)O)O)c(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)COC(=O)c1cc(c(c(c1)O)O)O)c1cc2c(c(c1O)O)c1c(cc(c(c1O)O)O)C(=O)O[C@@H]1[C@H](COC2=O)O[C@H]([C@H]2[C@@H]1OC(=O)c1c(c3c(C(=O)O2)cc(c(c3O)O)O)c(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMelastomataceaeBredia tuberculata Ref.
PlantaeMelastomataceaeBredia tuberuculata Ref.
PlantaeMelastomataceaeHeterocentron roseum Ref.
PlantaeMelastomataceaeMedinilla magnifica Ref.
PlantaeMelastomataceaeMonochaetum multiflorum Ref.
PlantaeMelastomataceaeTibouchina multiflora Ref.
PlantaeMelastomataceaeTibouchina semidecandra Ref.
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OrganismTibouchina multiflora
ReferenceYoshida,Phytochem.,66,(2005),1972