input word = C00020462

Metabolite InformationStructural formula
Name Solidaginoide B
Formula C20H22O6
Mw 358.14163844
CAS RN 99956-51-1
C_ID C00020462 ,
InChIKey HFVIDNCEEKEUGB-CVAPDTAVNA-N
InChICode InChI=1S/C20H22O6/c1-6-8(2)17(21)23-11-7-9(3)20-14(13-12(11)10(4)18(22)24-13)19(5)15(25-19)16(20)26-20/h6-7,11-16H,4H2,1-3,5H3/b8-6+/t11-,12-,13-,14-,15+,16-,19-,20+/m0/s1
SMILES [C@@H]12[C@@H]3[C@]4(C(=C[C@@H]([C@@H]1C(=C)C(=O)O2)OC(=O)/C(=C/C)/C)C)[C@H]([C@@H]1[C@]3(O1)C)O4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea solidaginea Ref.
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