Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA004999
PROPERTIES
NPAID | NPA004999 |
---|---|
CLUSTER ID | 1825 |
NODE ID | 24 |
NAME | Ketodeoxymyxol glucoside |
FORMULA | C46H64O8 |
MOLECULAR WEIGHT (Da) | 745.0100 |
ACCURATE MASS (Da) | 744.4601 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Gordonia |
ORIGIN SPECIES | terrae |
InChIKey | WIIAAEMYMGPGLU-PKCXJYPGSA-N |
InChI | InChI=1S/C46H64O8/c1-31(16-11-12-17-32(2)19-14-22-34(4)24-26-37-36(6)38(48)28-29-45(37,7)8)18-13-20-33(3)21-15-23-35(5)25-27-40(49)46(9,10)54-44-43(52)42(51)41(50)39(30-47)53-44/h11-27,39-44,47,49-52H,28-30H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,31-16+,32-17+,33-20+,34-22+,35-23+/t39-,40+,41-,42+,43-,44+/m1/s1 |
SMILES | CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H](C(C)(C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)/C)/C |
ORIGINAL ISOLATION REFERENCE
CITATION | Takaichi, Shinichi; Maoka, Takashi; Akimoto, Naoshige; Carmona, Marvelisa L; Yamaoka, Yukiho Carotenoids in a Corynebacterineae, Gordonia terrae AIST-1: carotenoid glucosyl mycoloyl esters Bioscience Biotechnology and Biochemistry 2008 72 (10) 2615-2622. | ||
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DOI | 10.1271/bbb.80299 | PMID | 18838810 |