input word = C00003721

Metabolite InformationStructural formula
Name Nigakihemiacetal A
Formula C22H34O7
Mw 410.23045344
CAS RN 30248-05-6
C_ID C00003721 ,
InChIKey POGHHDUAPIJTLG-SGVAPWADNA-N
InChICode InChI=1S/C22H34O7/c1-10-7-12(27-5)18(25)20(2)11(10)8-14-21(3)13(9-15(23)29-14)22(4,26)19(28-6)16(24)17(20)21/h7,10-11,13-17,19,23-24,26H,8-9H2,1-6H3/t10-,11-,13+,14+,15-,16-,17+,19+,20-,21+,22-/m0/s1
SMILES C1(=C[C@@H]([C@H]2[C@](C1=O)([C@@H]1[C@]3([C@@H](C2)O[C@@H](C[C@H]3[C@@]([C@@H]([C@H]1O)OC)(O)C)O)C)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePicrasma quassioides Ref.
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