Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA018435
PROPERTIES
NPAID | NPA018435 |
---|---|
CLUSTER ID | 349 |
NODE ID | 315 |
NAME | Indoxamycin E |
FORMULA | C22H30O4 |
MOLECULAR WEIGHT (Da) | 358.4780 |
ACCURATE MASS (Da) | 358.2144 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | HCHYEJZGKDRAGI-AVLGNFFCSA-N |
InChI | InChI=1S/C22H30O4/c1-13(8-10-23)18-21(5)12-14(2)17-20(4,9-7-16(24)25)11-15(3)19(26-18)22(17,21)6/h7-9,11-12,17-19,23H,10H2,1-6H3,(H,24,25)/b9-7+,13-8-/t17-,18-,19+,20-,21+,22-/m1/s1 |
SMILES | CC1=C[C@]2([C@H](O[C@@H]3[C@]2([C@H]1[C@](C=C3C)(C)/C=C/C(=O)O)C)/C(=C\CO)/C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Sato, Seizo; Iwata, Fumie; Mukai, Takako; Yamada, Shoichi; Takeo, Jiro; Abe, Akihisa; Kawahara, Hiroyuki Indoxamycins A-F. Cytotoxic tricycklic polypropionates from a marine-derived actinomycete Journal of Organic Chemistry 2009 74 (15) 5502-5509. | ||
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DOI | 10.1021/jo900667j | PMID | 19572603 |