| Name |
Nobotanin M |
| Formula |
C102H74O66 |
| Mw |
2354.24341743 |
| CAS RN |
238753-08-7 |
| C_ID |
C00035352
, 
|
| InChIKey |
TZUMJLJXOSOVIN-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C102H74O66/c103-17-50-85(163-95(147)26-10-42(113)64(124)72(132)54(26)53-25(94(146)158-50)9-41(112)63(123)71(53)131)83(47(118)18-153-89(141)21-1-33(104)59(119)34(105)2-21)161-99(151)31-13-45(116)67(127)77(137)81(31)156-48-15-29-57(75(135)69(48)129)55-27(11-43(114)65(125)73(55)133)96(148)164-86-52(20-155-93(29)145)160-102(168-92(144)24-7-39(110)62(122)40(111)8-24)88-87(86)165-97(149)28-12-44(115)66(126)74(134)56(28)58-30(98(150)166-88)16-49(70(130)76(58)136)157-82-32(14-46(117)68(128)78(82)138)100(152)162-84-51(19-154-90(142)22-3-35(106)60(120)36(107)4-22)159-101(80(140)79(84)139)167-91(143)23-5-37(108)61(121)38(109)6-23/h1-17,47,50-52,79-80,83-88,101-102,104-140H,18-20H2/t47-,50-,51-,52+,79+,80-,83-,84+,85-,86+,87-,88+,101-,102-/m1/s1 |
| SMILES |
O=CC1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC1C(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)C2OC(=O)c3cc(Oc4c(C(=O)OC5C(COC(=O)c6cc(O)c(O)c(O)c6)OC(OC(=O)c6cc(O)c(O)c(O)c6)C(O)C5O)cc(O)c(O)c4O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC12)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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