input word = C00039924

Metabolite InformationStructural formula
Name Palinurin
(+)-Palinurin
Formula C25H34O4
Mw 398.24570957
CAS RN 71947-64-3
C_ID C00039924 ,
InChIKey UXFNAATUJSSAHF-BJARBBEQNA-N
InChICode InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8-9,12,14-15,17-18,23,26H,6-7,10-11,13,16H2,1-4H3/b8-5+,19-9+,20-12+/t18-,23-/m1/s1
SMILES CC1=C(O)[C@@H](C/C(C)=C/CC[C@H](C)/C=C/C=C(C)CCCc2ccoc2)OC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaIrciniidaeIrcinia variabilis Ref.
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