input word = C00046032

Metabolite InformationStructural formula
Name Ircinin 1
(+)-Ircinin 1
Formula C25H30O5
Mw 410.20932407
CAS RN 35731-89-6
C_ID C00046032 ,
InChIKey GOKZWKYAKOVREM-LTWYHNJBNA-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/h7,10-13,15-16,18,26H,4-6,8-9,14H2,1-3H3/b17-7+,23-12-/t18-/m1/s1
SMILES o1ccc(c1)Cc1cc(co1)CC/C=C(\C)/CCC[C@@H](C)/C=C\1/C(=C(C(=O)O1)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sarcotragus sp. Ref.
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OrganismSarcotragus sp.
ReferenceLiu,J.Nat.Prod.,64,(2001),1301