input word = C00039085

Metabolite InformationStructural formula
Name Effusanin D
Formula C24H32O8
Mw 448.209718
CAS RN 76485-13-7
C_ID C00039085 ,
InChIKey IYWHJYKWKCMAGI-PYZBACOONA-N
InChICode InChI=1S/C24H32O8/c1-12-15-5-6-16-22-11-31-24(29,23(16,9-15)19(12)27)20(28)18(22)21(4,10-30-13(2)25)8-7-17(22)32-14(3)26/h15-18,20,28-29H,1,5-11H2,2-4H3/t15-,16+,17+,18-,20+,21+,22-,23+,24-/m1/s1
SMILES C1C[C@]([C@@H]2[C@@]3([C@H]1OC(=O)C)[C@H]1[C@]4([C@]([C@H]2O)(O)OC3)C(=O)C(=C)[C@H](CC1)C4)(COC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon japonicus Ref.
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