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=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)C=C(C)[C@]13O[C@H]1[C@H]1O[C@@]1(C)[C@H]23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea solidaginea Ref.
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