input word = C00050350

Metabolite InformationStructural formula
Name Concinnasteoside A
(-)-Concinnasteoside A
Formula C39H64O14
Mw 756.42960675
CAS RN 198015-08-6
C_ID C00050350 ,
InChIKey MRNWCVDWEGLVOD-XEPLTMDHNA-N
InChICode InChI=1S/C39H64O14/c1-16(2)9-20(41)10-17(3)29-25(51-37-35(49)33(47)31(45)26(15-40)52-37)14-23-28-22(7-8-38(23,29)5)39(6)19(12-24(28)43)11-21(42)13-27(39)53-36-34(48)32(46)30(44)18(4)50-36/h16-19,21-23,25-37,40,42,44-49H,7-15H2,1-6H3/t17-,18+,19-,21-,22+,23+,25+,26-,27-,28-,29+,30+,31-,32-,33+,34-,35-,36-,37-,38+,39+/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H]([C@H](C3)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@@H](CC(=O)CC(C)C)C)C)C(=O)C[C@@H]1[C@@]2([C@@H](C[C@@H](C1)O)O[C@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDracaenaceaeDracaena concinna Ref.
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