input word = C00006415

Metabolite InformationStructural formula
Name Aciculatin
Formula C22H22O8
Mw 414.13146768
CAS RN 134044-97-6
C_ID C00006415 ,
InChIKey RUTGHCUXABPJTJ-VQAGXSQXNA-N
InChICode InChI=1S/C22H22O8/c1-10-21(27)15(26)9-18(29-10)20-17(28-2)8-14(25)19-13(24)7-16(30-22(19)20)11-3-5-12(23)6-4-11/h3-8,10,15,18,21,23,25-27H,9H2,1-2H3/t10-,15-,18-,21+/m1/s1
SMILES c1(cc(c2c(c1[C@@H]1O[C@@H]([C@@H]([C@@H](C1)O)O)C)oc(cc2=O)c1ccc(cc1)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeHoslundia opposita Ref.
zoom in