| Name |
3-O-beta-D-Glucopyranosyl quinovic acid
Quinovic acid 3-O-beta-D-glucopyranoside |
| Formula |
C36H56O10 |
| Mw |
648.38734801 |
| CAS RN |
79955-41-2 |
| C_ID |
C00035935
, 
|
| InChIKey |
AXNXSFBKZQIMPF-USMCQNNBNA-N |
| InChICode |
InChI=1S/C36H56O10/c1-18-9-14-35(30(41)42)15-16-36(31(43)44)20(25(35)19(18)2)7-8-23-33(5)12-11-24(32(3,4)22(33)10-13-34(23,36)6)46-29-28(40)27(39)26(38)21(17-37)45-29/h7,18-19,21-29,37-40H,8-17H2,1-6H3,(H,41,42)(H,43,44)/t18-,19+,21-,22+,23-,24+,25+,26-,27+,28-,29+,33+,34-,35-,36-/m1/s1 |
| SMILES |
[C@H]1(CC[C@@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@]([C@@]1(CC2)C(=O)O)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C(=O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Neonauclea sessilifolia  | Ref. |
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