input word = C00021190

Metabolite InformationStructural formula
Name Incaspin
Formula C19H26O5
Mw 334.17802394
CAS RN 95523-33-4
C_ID C00021190 ,
InChIKey HSXLCTYJIGXUOE-UHFFFAOYNA-N
InChICode InChI=1S/C19H26O5/c1-5-6-14(21)24-17-15-11(3)18(22)23-13(15)9-10(2)16-12(20)7-8-19(16,17)4/h5-6,10,12-13,15-17,20H,3,7-9H2,1-2,4H3/b6-5+/t10-,12+,13-,15+,16-,17-,19-/m1/s1
SMILES [C@@H]1([C@H]2[C@@]([C@@H]([C@@H]3[C@@H](C1)OC(=O)C3=C)OC(=O)/C=C/C)(C)CC[C@@H]2O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula caspica Ref.
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