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Compounds

COMPOUND NPA000017

STRUCTURE
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PROPERTIES
NPAID NPA000017
CLUSTER ID 16
NODE ID 16
NAME Macrolactin P
FORMULA C31H46O10
MOLECULAR WEIGHT (Da) 578.6990
ACCURATE MASS (Da) 578.3091
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Bacillus
ORIGIN SPECIES sp. AH159-1
InChIKey SVHVXVRYDBFIMU-JHHGODBBSA-N
InChI InChI=1S/C31H46O10/c1-2-24-16-10-5-3-4-8-14-22(33)20-23(34)15-9-6-11-17-25(18-12-7-13-19-27(35)39-24)40-31-30(38)29(37)28(36)26(21-32)41-31/h3-4,6-9,11-14,17,19,22-26,28-34,36-38H,2,5,10,15-16,18,20-21H2,1H3/b4-3+,9-6-,12-7+,14-8+,17-11+,19-13-/t22-,23-,24+,25+,26+,28+,29-,30+,31+/m0/s1
SMILES CC[C@@H]1CCC/C=C/C=C/[C@@H](C[C@H](C/C=C\C=C\[C@H](C/C=C/C=C\C(=O)O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
ORIGINAL ISOLATION REFERENCE
CITATION Zheng, Chang-Ji; Lee, Sangku; Lee, Choong-Hwan; Kim, Won-Gon Macrolactins O-R, glycosylated 24-membered lactones from Bacillus sp. AH159-1 Journal of Natural Products 2007 70 (10) 1632-1635.
DOI 10.1021/np0701327 PMID 17887720
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Firmicutes LPSN 1239
Class Bacilli LPSN 91061
Order Bacillales LPSN 1385
Family Bacillaceae LPSN 186817
Genus Bacillus LPSN 1386
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