input word = C00011881

Metabolite InformationStructural formula
Name Longipilin
Formula C21H26O8
Mw 406.16276781
CAS RN 71135-31-4
C_ID C00011881 ,
InChIKey JXROUJXCPKQFHH-XBBPZOPDNA-N
InChICode InChI=1S/C21H26O8/c1-6-10(2)18(23)27-15-13-11(3)19(24)28-16(13)17-21(4,29-17)9-7-8-12(14(15)22)20(25)26-5/h6,8,13-17,22H,3,7,9H2,1-2,4-5H3/b10-6-,12-8+/t13-,14+,15+,16+,17+,21-/m1/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=CC)[C@@H](O)/C(C(=O)OC)=CCC[C@@]1(C)O[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium longipilum Ref.
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