input word = C00012047

Metabolite InformationStructural formula
Name [3aR-(3aalpha,3bbeta,7aalpha,8aalpha,8bbeta,8cbeta,9abeta)]-3a,3b,7a,8a,8b,8c,9,9a-Octahydro-8b-methyl-3-methylene-5H-difuro[4,3,2-ef:3',2'-h]oxireno[a][3]benzoxepin-2,5(3H)-dione
1beta,2beta-Epoxymiscandenin
Formula C15H14O6
Mw 290.07903818
CAS RN 100652-33-3
C_ID C00012047 ,
InChIKey BUDKOLMYAUJFKQ-UHFFFAOYNA-N
InChICode InChI=1S/C15H14O6/c1-5-8-7(19-12(5)16)3-15(2)9-6(13(17)20-10(8)9)4-18-14-11(15)21-14/h4,7-11,14H,1,3H2,2H3/t7-,8+,9-,10+,11-,14+,15-/m0/s1
SMILES [C@@H]12[C@H]3[C@H](C[C@]4([C@H]1C(=CO[C@H]1[C@@H]4O1)C(=O)O2)C)OC(=O)C3=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMikania cynanchifolia Ref.
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