input word = C00049104

Metabolite InformationStructural formula
Name Alertenone
(-)-Alertenone
Formula C30H44O2
Mw 436.33413065
CAS RN 222735-88-8
C_ID C00049104 ,
InChIKey WYBSXJBCCDNLRE-JRXIDPAONA-N
InChICode InChI=1S/C30H44O2/c1-16-9-11-21-25-19(26(32)18(3)29(16,25)14-28(21,6)7)12-23-24(31)13-22-20-10-8-17(2)30(22,23)15-27(20,4)5/h16-17,19-23,25H,3,8-15H2,1-2,4-7H3/t16-,17-,19+,20-,21-,22-,23+,25+,29+,30-/m0/s1
SMILES C=C1C(=O)[C@H](C[C@@H]2C(=O)C[C@H]3[C@@H]4CC[C@H](C)[C@]23CC4(C)C)[C@H]2[C@@H]3CC[C@H](C)[C@]12CC3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--AnthothelidaeAlertigorgia sp. Ref.
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