Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA018202
PROPERTIES
NPAID | NPA018202 |
---|---|
CLUSTER ID | 1127 |
NODE ID | 963 |
NAME | 2-methyl-11,11′-O-dimethylelaiophylin |
FORMULA | C57H94O18 |
MOLECULAR WEIGHT (Da) | 1067.3610 |
ACCURATE MASS (Da) | 1066.6440 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. ICBB 9297 |
InChIKey | NPVBBQBSNPUXPX-CIYGRLDZSA-N |
InChI | InChI=1S/C57H94O18/c1-16-40-36(10)74-56(66-14,27-44(40)70-47-25-42(58)51(63)38(12)68-47)34(8)49(61)32(6)53-30(4)22-20-23-31(5)55(65)73-54(29(3)21-18-19-24-46(60)72-53)33(7)50(62)35(9)57(67-15)28-45(41(17-2)37(11)75-57)71-48-26-43(59)52(64)39(13)69-48/h18-24,29-30,32-45,47-54,58-59,61-64H,16-17,25-28H2,1-15H3/b21-18+,22-20+,24-19+,31-23+/t29-,30-,32-,33-,34-,35-,36+,37+,38-,39-,40+,41+,42-,43-,44+,45+,47-,48-,49+,50+,51+,52+,53-,54-,56+,57+/m0/s1 |
SMILES | CC[C@@H]1[C@H](O[C@](C[C@H]1O[C@H]2C[C@@H]([C@@H]([C@@H](O2)C)O)O)([C@@H](C)[C@@H]([C@H](C)[C@@H]3[C@H](/C=C/C=C/C(=O)O[C@@H]([C@H](/C=C/C=C(/C(=O)O3)\C)C)[C@@H](C)[C@H]([C@H](C)[C@]4(C[C@H]([C@@H]([C@H](O4)C)CC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)O)OC)O)C)O)OC)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Sheng, Yan; Lam, Phillip W.; Shahab, Salmah; Santosa, Dwi Andreas; Proteau, Philip J.; Zabriskie, T. Mark; Mahmud, Taifo Identification of Elaiophylin Skeletal Variants from the Indonesian Streptomyces sp. ICBB 9297 Journal of Natural Products 2015 78 (11) 2768-2775. | ||
---|---|---|---|
DOI | 10.1021/acs.jnatprod.5b00752 | PMID | 26510047 |