| Name |
Nobotanin I |
| Formula |
C89H58O56 |
| Mw |
2022.1690707 |
| CAS RN |
113900-94-0 |
| C_ID |
C00035350
, 
|
| InChIKey |
CBXMRQSWJCCTJZ-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C89H58O56/c90-28-1-17(2-29(91)50(28)101)77(120)131-15-42-72-74-76(88(136-42)144-78(121)18-3-30(92)51(102)31(93)4-18)143-83(126)22-9-36(98)55(106)63(114)46(22)48-24(85(128)141-74)13-39(58(109)65(48)116)133-69-26(10-37(99)56(107)67(69)118)86(129)135-41-12-23-47(64(115)60(41)111)44-20(7-34(96)53(104)61(44)112)81(124)138-71-43(16-132-80(23)123)137-89(145-79(122)19-5-32(94)52(103)33(95)6-19)75-73(71)140-84(127)25-14-40(134-70-27(87(130)139-72)11-38(100)57(108)68(70)119)59(110)66(117)49(25)45-21(82(125)142-75)8-35(97)54(105)62(45)113/h1-14,42-43,71-76,88-119H,15-16H2/t42-,43-,71+,72+,73+,74-,75+,76-,88-,89+/m1/s1 |
| SMILES |
c12cc(c(c(c1Oc1c(c(c3c4c(C(=O)O[C@H]5[C@H](O[C@@H]([C@H](OC(=O)c6c(Oc7c(c(c8c9c(C(=O)O[C@@H]%10[C@@H](O[C@@H]%11COC(=O)c%12cc(OC2=O)c(c(c%12c2c(cc(c(c2O)O)O)C(=O)O[C@@H]%11[C@@H]%10OC(=O)c8c7)O)O)OC(=O)c2cc(c(c(c2)O)O)O)cc(c(c9O)O)O)O)O)c(c(c(c6)O)O)O)[C@H]5OC(=O)c3c1)COC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)cc(c(c4O)O)O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Melastomataceae | Medinilla magnifica | Ref. |
| Plantae | Melastomataceae | Tibouchina multiflora | Ref. |
|
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