Name |
Aquilegioside G |
Formula |
C42H68O15 |
Mw |
812.4558215 |
CAS RN |
672940-72-6 |
C_ID |
C00029711
,
|
InChIKey |
LWKMTLMSNFINNF-KADBKSKXNA-N |
InChICode |
InChI=1S/C42H68O15/c1-19(21-13-26(47)40(6,18-45)57-21)28-20(46)14-39(5)25-8-7-24-37(2,3)27(9-10-41(24)17-42(25,41)12-11-38(28,39)4)55-36-34(32(51)30(49)23(16-44)54-36)56-35-33(52)31(50)29(48)22(15-43)53-35/h19,21-36,43-45,47-52H,7-18H2,1-6H3/t19-,21-,22-,23-,24+,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,38-,39+,40+,41-,42+/m1/s1 |
SMILES |
C1[C@@H](C([C@H]2[C@]3(C1)[C@]1([C@@H](CC2)[C@]2([C@](CC1)([C@H](C(=O)C2)[C@@H]([C@@H]1O[C@]([C@H](C1)O)(CO)C)C)C)C)C3)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Ranunculaceae | Aquilegia vulgaris L | Ref. |
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