input word = C00048825

Metabolite InformationStructural formula
Name Polydactin A
Formula C14H22O2
Mw 222.16197995
CAS RN 1051911-92-2
C_ID C00048825 ,
InChIKey SXDSHGDZANTXEL-VHEGVDCFNA-N
InChICode InChI=1S/C14H22O2/c1-10(2)12-5-4-11(3)14(16)9-8-13(15)7-6-12/h6-7,10,12,14,16H,3-5,8-9H2,1-2H3/b7-6+/t12-,14-/m1/s1
SMILES C=C1CC[C@@H](C(C)C)/C=C/C(=O)CC[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia polydactyla Ref.
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