input word = C00017898

Metabolite InformationStructural formula
Name (+)-Aerocavin
Aerocavin
Formula C27H44O6
Mw 464.31378914
CAS RN 113702-00-4
C_ID C00017898 ,
InChIKey OJPUZRWFAWDJHP-RNNPGMQZNA-N
InChICode InChI=1S/C27H44O6/c1-3-4-5-6-7-8-12-15-23(28)19-25-20-24(29)16-21(2)13-10-9-11-14-22(17-26(30)31)18-27(32)33-25/h9,11,13,18,23-25,28-29H,3-8,10,12,14-17,19-20H2,1-2H3,(H,30,31)/b11-9-,21-13-,22-18-/t23-,24-,25-/m0/s1
SMILES C\1(=C/C(=O)O[C@H](C[C@H](C/C(=C\C/C=C\C1)/C)O)C[C@H](CCCCCCCCC)O)/CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaNeisseriaceaeChromobacterium violaceum ATCC 53434 Ref.
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