input word = C00046033

Metabolite InformationStructural formula
Name Ircinin 2
Formula C25H30O5
Mw 410.20932407
CAS RN 35761-52-5
C_ID C00046033 ,
InChIKey YIWFEASCLZQHBJ-CYDZWXEGNA-N
InChICode InChI=1S/C25H30O5/c1-17(6-4-8-18(2)12-23-24(26)19(3)25(27)30-23)7-5-9-20-13-22(29-16-20)14-21-10-11-28-15-21/h6,10-13,15-16,18,26H,4-5,7-9,14H2,1-3H3/b17-6-,23-12-/t18-/m1/s1
SMILES o1ccc(c1)Cc1cc(co1)CCC/C(=C\CC[C@H](/C=C/1\OC(=O)C(=C1O)C)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sarcotragus sp. Ref.
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