| Name |
Nobotanin C |
| Formula |
C116H80O74 |
| Mw |
2656.2496846 |
| CAS RN |
111692-75-2 |
| C_ID |
C00035346
, 
|
| InChIKey |
LMQLANVILPWSSP-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C116H80O74/c117-19-56-94(93(181-103(161)25-5-41(122)69(137)42(123)6-25)53(134)20-173-101(159)23-1-37(118)67(135)38(119)2-23)183-111(169)33-17-54(79(147)87(155)65(33)60-28(106(164)178-56)10-46(127)72(140)82(60)150)176-91-35(15-51(132)77(145)89(91)157)113(171)189-115-99-97(95(182-104(162)26-7-43(124)70(138)44(125)8-26)57(179-115)21-174-102(160)24-3-39(120)68(136)40(121)4-24)186-112(170)34-18-55(80(148)88(156)66(34)64-32(110(168)187-99)14-50(131)76(144)86(64)154)177-92-36(16-52(133)78(146)90(92)158)114(172)190-116-100-98(185-108(166)30-12-48(129)74(142)84(152)62(30)63-31(109(167)188-100)13-49(130)75(143)85(63)153)96-58(180-116)22-175-105(163)27-9-45(126)71(139)81(149)59(27)61-29(107(165)184-96)11-47(128)73(141)83(61)151/h1-19,53,56-58,93-100,115-116,118-158H,20-22H2/t53-,56-,57+,58+,93-,94+,95-,96-,97+,98-,99+,100-,115+,116+/m1/s1 |
| SMILES |
O=CC1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(Oc3c(C(=O)OC4OC(COC(=O)c5cc(O)c(O)c(O)c5)C(OC(=O)c5cc(O)c(O)c(O)c5)C5OC(=O)c6cc(Oc7c(C(=O)OC8OC9COC(=O)c%10cc(O)c(O)c(O)c%10-c%10c(cc(O)c(O)c%10O)C(=O)OC9C9OC(=O)c%10cc(O)c(O)c(O)c%10-c%10c(cc(O)c(O)c%10O)C(=O)OC89)cc(O)c(O)c7O)c(O)c(O)c6-c6c(cc(O)c(O)c6O)C(=O)OC45)cc(O)c(O)c3O)c(O)c2O)C(=O)OC1C(OC(=O)c1cc(O)c(O)c(O)c1)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 multiflora | Ref. |
| Plantae | Melastomataceae | Tibouchina semidecandra | Ref. |
|
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