input word = C00042456

Metabolite InformationStructural formula
Name Dehydroatalantin
Formula C27H30O9
Mw 498.18898256
CAS RN 55279-87-3
C_ID C00042456 ,
InChIKey LDDPNRPNOHWFQH-BGBIKEPUNA-N
InChICode InChI=1S/C27H30O9/c1-23(2)18-17(29)19(30)25(4)15(26(18,13-34-23)10-7-16(28)32-5)6-9-24(3)20(14-8-11-33-12-14)35-22(31)21-27(24,25)36-21/h7-8,10-12,15,18,20-21H,6,9,13H2,1-5H3/b10-7-/t15-,18-,20-,21+,24-,25-,26-,27+/m0/s1
SMILES COC(=O)/C=C[C@@]12COC(C)(C)[C@@H]1C(=O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeAtalantia macrophylla Ref.
PlantaeRutaceaeSeverinia buxifolia Ref.
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