| Name |
Nobotanin N |
| Formula |
C95H70O62 |
| Mw |
2202.23245882 |
| CAS RN |
238750-62-4 |
| C_ID |
C00035353
, 
|
| InChIKey |
HXJDZPMMHMFPFJ-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C95H70O62/c96-15-43(110)65(122)78(44(111)17-144-84(133)20-1-31(98)56(113)32(99)2-20)151-93(142)29-11-41(108)63(120)74(131)76(29)148-47-14-28-55(73(130)67(47)124)53-26(10-40(107)62(119)71(53)128)91(140)155-82-81-49(150-95(83(82)156-92(28)141)157-86(135)22-5-35(102)58(115)36(103)6-22)19-146-87(136)27-13-46(66(123)72(129)54(27)52-25(90(139)154-81)9-39(106)61(118)70(52)127)147-77-30(12-42(109)64(121)75(77)132)94(143)152-79(45(112)18-145-85(134)21-3-33(100)57(114)34(101)4-21)80-48(16-97)149-88(137)23-7-37(104)59(116)68(125)50(23)51-24(89(138)153-80)8-38(105)60(117)69(51)126/h1-16,43-45,48-49,65,78-83,95,98-132H,17-19H2/t43-,44-,45+,48-,49-,65-,78-,79+,80-,81+,82-,83-,95-/m0/s1 |
| SMILES |
O=CC(O)C(O)C(OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)OC1C3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(Oc5c(C(=O)OC(C(O)COC(=O)c6cc(O)c(O)c(O)c6)C6OC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)OC6C=O)cc(O)c(O)c5O)c(O)c4O)C(=O)OCC3OC(OC(=O)c3cc(O)c(O)c(O)c3)C1OC2=O)C(O)COC(=O)c1cc(O)c(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Melastomataceae | Tibouchina semidecandra | Ref. |
|
|
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