input word = C00032852

Metabolite InformationStructural formula
Name Combreglucoside
Formula C36H58O12
Mw 682.39282732
CAS RN 173485-48-8
C_ID C00032852 ,
InChIKey BBPOLSMDPRNEHZ-RGAQFJFUNA-N
InChICode InChI=1S/C36H58O12/c1-31(2)9-11-36(30(46)48-29-25(43)24(42)23(41)20(15-37)47-29)12-10-34(5)17(22(36)28(31)45)7-8-21-32(3)13-19(40)27(44)33(4,16-38)26(32)18(39)14-35(21,34)6/h7,18-29,37-45H,8-16H2,1-6H3/t18-,19-,20-,21-,22-,23-,24+,25-,26-,27+,28+,29+,32-,33+,34-,35-,36+/m1/s1
SMILES C1(CC[C@]2([C@@H]([C@@H]1O)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(C[C@H]([C@@H]1[C@@]3(C[C@H]([C@@H]([C@]1(CO)C)O)O)C)O)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCombretum quadrangulare Ref.
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