input word = C00045453

Metabolite InformationStructural formula
Name Xanthanthusin I
(-)-Xanthanthusin I
Formula C24H28O8
Mw 444.17841787
CAS RN 436142-42-6
C_ID C00045453 ,
InChIKey ZEYSITWNHCCRCY-WIPOVICBNA-N
InChICode InChI=1S/C24H28O8/c1-10-7-24(10)20(30)14-15(17(28)21(24)32-12(3)26)23(6)9-13(31-11(2)25)8-22(4,5)19(23)18(29)16(14)27/h10,13,21,29H,7-9H2,1-6H3/t10-,13-,21-,23+,24+/m0/s1
SMILES [C@@H]1(CC(C2=C(C(=O)C3=C([C@]2(C1)C)C(=O)[C@@H]([C@@]1(C3=O)[C@H](C1)C)OC(=O)C)O)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLamiaceaeColeus xanthanthus Ref.
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