Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA019427
PROPERTIES
NPAID | NPA019427 |
---|---|
CLUSTER ID | 36 |
NODE ID | 36 |
NAME | S361A |
FORMULA | C47H88O15 |
MOLECULAR WEIGHT (Da) | 893.2060 |
ACCURATE MASS (Da) | 892.6123 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Corynebacterium |
ORIGIN SPECIES | aquaticum |
InChIKey | PAXYGFYZRDUVNE-SAIMABHOSA-N |
InChI | InChI=1S/C47H88O15/c1-5-33(3)25-21-17-13-9-7-8-10-15-19-23-27-38(50)57-30-35(49)31-59-46-44(56)45(62-47-43(55)42(54)40(52)36(29-48)60-47)41(53)37(61-46)32-58-39(51)28-24-20-16-12-11-14-18-22-26-34(4)6-2/h33-37,40-49,52-56H,5-32H2,1-4H3/t33?,34?,35-,36+,37+,40+,41+,42-,43+,44-,45-,46-,47+/m0/s1 |
SMILES | CCC(C)CCCCCCCCCCCCC(=O)OC[C@@H](CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)CCCCCCCCCCC(C)CC)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Yanagi, H; Matsufuji, M; Nakata, K; Nagamatsu, Y; Ohta, S; Yoshimoto, A A new type of glycoglycerolipids from Corynebacterium aquaticum Bioscience Biotechnology and Biochemistry 2000 64 (2) 424-427. | ||
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DOI | 10.1271/bbb.64.424 | PMID | 10737205 |