| Name |
Ternatin C2 |
| Formula |
C66H75O39 |
| Mw |
1491.38854766 |
| CAS RN |
215378-74-8 |
| C_ID |
C00014805
, 
|
| InChIKey |
WEOYCCAEGSCXSP-XLQPMKEMNA-O |
| InChICode |
InChI=1S/C66H74O39/c67-19-36-46(77)51(82)56(87)62(101-36)95-28-7-1-24(2-8-28)5-11-42(73)92-21-38-48(79)53(84)57(88)63(103-38)96-29-9-3-25(4-10-29)6-12-43(74)93-22-39-49(80)54(85)59(90)65(104-39)99-34-14-26(13-33(45(34)76)98-64-58(89)52(83)47(78)37(20-68)102-64)61-35(17-30-31(70)15-27(69)16-32(30)97-61)100-66-60(91)55(86)50(81)40(105-66)23-94-44(75)18-41(71)72/h1-17,36-40,46-60,62-68,77-91H,18-23H2,(H3-,69,70,71,72,76)/p+1/b11-5+,12-6+/t36-,37-,38-,39-,40-,46-,47-,48-,49-,50-,51+,52+,53+,54-,55+,56+,57-,58-,59+,60-,62-,63-,64-,65-,66-/m1/s1 |
| SMILES |
O=C(O)CC(=O)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O[C@@H]3O[C@H](COC(=O)/C=C/c4ccc(O[C@@H]5O[C@H](COC(=O)/C=C/c6ccc(O[C@@H]7OC(CO)[C@@H](O)[C@H](O)C7O)cc6)[C@@H](O)C(O)C5O)cc4)[C@@H](O)C(O)C3O)c(O)c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c2)C(O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fabaceae | Clitoria ternatea  | Ref. |
|
|
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