input word = C00042874

Metabolite InformationStructural formula
Name Pukalide aldehyde
Formula C20H22O5
Mw 342.14672381
CAS RN 134455-97-3
C_ID C00042874 ,
InChIKey CDYDRAISDJZNIZ-UHFFFAOYNA-N
InChICode InChI=1S/C20H22O5/c1-11(2)12-4-5-13-6-15(23-19(13)22)9-20(3)18(25-20)17-8-14(10-21)16(7-12)24-17/h6,8,10,12,15,18H,1,4-5,7,9H2,2-3H3/t12-,15-,18+,20-/m1/s1
SMILES o1c2C[C@@H](CCC3=C[C@H](C[C@@]4([C@H](c1cc2C=O)O4)C)OC3=O)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Leptogorgia alba Ref.
--Leptogorgia rigida Ref.
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