input word = C00042794

Metabolite InformationStructural formula
Name nor-Spiculoic acid A
(+)-nor-Spiculoic acid A
Formula C26H34O3
Mw 394.25079495
CAS RN 852043-33-5
C_ID C00042794 ,
InChIKey UQEJAGGYKHOOEK-PDHGIFLANA-N
InChICode InChI=1S/C26H34O3/c1-6-20-16-25(7-2,15-14-19-12-10-9-11-13-19)26(8-3,24(28)29)22-18(5)23(27)17(4)21(20)22/h9-18,21-22H,6-8H2,1-5H3,(H,28,29)/b15-14+/t17-,18-,21+,22-,25+,26-/m1/s1
SMILES [C@]1(C=C([C@H]2[C@H]([C@@]1(C(=O)O)CC)[C@H](C(=O)[C@@H]2C)C)CC)(/C=C/c1ccccc1)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPlakinidaePlakortis zyggompha Ref.
zoom in