Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA005002
PROPERTIES
NPAID | NPA005002 |
---|---|
CLUSTER ID | 36 |
NODE ID | 35 |
NAME | GGL 1 |
FORMULA | C49H96O13 |
MOLECULAR WEIGHT (Da) | 893.2940 |
ACCURATE MASS (Da) | 892.6851 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Microbacterium |
ORIGIN SPECIES | sp. |
InChIKey | SJHIYHMEUJZKFH-ACZLAUBYSA-N |
InChI | InChI=1S/C49H96O13/c1-5-37(3)29-25-21-17-13-9-7-11-15-19-23-27-31-57-34-39(58-32-28-24-20-16-12-8-10-14-18-22-26-30-38(4)6-2)35-59-48-47(56)45(54)43(52)41(62-48)36-60-49-46(55)44(53)42(51)40(33-50)61-49/h37-56H,5-36H2,1-4H3/t37?,38?,39?,40-,41-,42-,43-,44+,45+,46-,47-,48-,49-/m1/s1 |
SMILES | CCC(C)CCCCCCCCCCCCCOCC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)OCCCCCCCCCCCCCC(C)CC |
ORIGINAL ISOLATION REFERENCE
CITATION | Wicke, C; Hüners, M; Wray, V; Nimtz, M; Bilitewski, U; Lang, S Production and structure elucidation of glycoglycerolipids from a marine sponge-associated microbacterium species Journal of Natural Products 2000 63 (5) 621-626. | ||
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DOI | 10.1021/np990313b | PMID | 10843572 |