input word = C00000421

Metabolite InformationStructural formula
Name Agardhilactone
(-)-Agardhilactone
(5S,6S,8S,9R,10R,18S)-Agardhilactone
Formula C20H28O4
Mw 332.19875938
CAS RN 178949-88-7
C_ID C00000421 ,
InChIKey YFHYWHWBWQBXAP-CMJWXNIMNA-N
InChICode InChI=1S/C20H28O4/c1-2-14(21)9-6-4-3-5-7-10-15-16(13-18-20(15)24-18)17-11-8-12-19(22)23-17/h3-4,6-7,9-10,14-18,20-21H,2,5,8,11-13H2,1H3/b4-3-,9-6+,10-7+/t14-,15-,16-,17-,18-,20+/m0/s1
SMILES CC[C@H](O)/C=C/C=CC/C=C/[C@@H]1[C@@H]([C@@H]2CCCC(=O)O2)C[C@@H]2O[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaArgnidaeAgardhiella subulata Ref.
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