input word = C00042701

Metabolite InformationStructural formula
Name Lingulatusin
Formula C20H32O6
Mw 368.21988875
CAS RN 214752-37-1
C_ID C00042701 ,
InChIKey CBCBSGOYCHYUBI-JXTLHZKVNA-N
InChICode InChI=1S/C20H32O6/c1-20(2,23)17-9-7-15(12-25-17)16-8-6-13(11-24-16)4-3-5-14-10-18(21)26-19(14)22/h10,13,15-17,19,22-23H,3-9,11-12H2,1-2H3/t13-,15-,16+,17+,19-/m1/s1
SMILES C1[C@H](CO[C@@H](C1)[C@H]1CO[C@@H](CC1)C(C)(C)O)CCCC1=CC(=O)O[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAster lingulatus Ref.
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