input word = C00039693

Metabolite InformationStructural formula
Name Macrolactin O
(-)-Macrolactin O
Formula C30H44O10
Mw 564.29344763
CAS RN 956479-52-0
C_ID C00039693 ,
InChIKey WPGAONUYAGVAII-AINVAMHMNA-N
InChICode InChI=1S/C30H44O10/c1-21-13-7-3-2-4-8-14-22(32)19-23(33)15-9-5-10-16-24(17-11-6-12-18-26(34)38-21)39-30-29(37)28(36)27(35)25(20-31)40-30/h2,4-6,9-12,16,18,21,23-25,27-31,33,35-37H,3,7-8,13-15,17,19-20H2,1H3/b4-2+,9-5-,11-6+,16-10+,18-12-/t21-,23+,24-,25-,27-,28+,29-,30-/m1/s1
SMILES C\1=C\C=C\[C@H](C/C=C/C=C\C(=O)O[C@@H](CCC/C=C/CCC(=O)C[C@H](C1)O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus sp. AH159-1 Ref.
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OrganismBacillus sp. AH159-1
ReferenceZheng,J.Nat.Prod.,70,(2007),1632