input word = C00039692

Metabolite InformationStructural formula
Name Macrolactin C
Formula C30H44O10
Mw 564.29344763
CAS RN 122540-29-8
C_ID C00039692 ,
InChIKey MYXSDRWZZCAXCL-OOVQANADNA-N
InChICode InChI=1S/C30H44O10/c1-21-13-7-3-2-4-11-17-24(39-30-29(37)28(36)27(35)25(20-31)40-30)19-23(33)16-10-5-8-14-22(32)15-9-6-12-18-26(34)38-21/h2,4-6,8-12,14,17-18,21-25,27-33,35-37H,3,7,13,15-16,19-20H2,1H3/b4-2+,9-6+,10-5+,14-8+,17-11+,18-12-/t21-,22+,23-,24-,25+,27+,28+,29+,30+/m0/s1
SMILES [C@H]1(C[C@H](/C=C/C=C/CCC[C@@H](OC(=O)/C=C\C=C\C[C@@H](/C=C/C=C/C1)O)C)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus sp. AH159-1 Ref.
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