input word = C00036777

Metabolite InformationStructural formula
Name Atranone C
Formula C24H32O6
Mw 416.21988875
CAS RN 227597-63-9
C_ID C00036777 ,
InChIKey YAEXNKPEJYCROB-BSHAAIQFNA-N
InChICode InChI=1S/C24H32O6/c1-12(2)15-11-17(25)29-23(5)10-9-14(4)20-18-19(22(26)28-20)24(6,27)30-21(18)13(3)7-8-16(15)23/h7,12,18-19,21,27H,8-11H2,1-6H3/b13-7+,20-14-/t18-,19+,21-,23-,24+/m0/s1
SMILES C/C1=C2/OC(=O)[C@H]3[C@@H]2[C@@H](O[C@@]3(C)O)/C(C)=C/CC2=C(C(C)C)CC(=O)O[C@@]2(C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Stachybotrys chartarum Ref.
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