Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023851
PROPERTIES
| NPAID | NPA023851 |
|---|---|
| CLUSTER ID | 6670 |
| NODE ID | 572 |
| NAME | Deplelide A |
| FORMULA | C72H114O27S |
| MOLECULAR WEIGHT (Da) | 1443.7440 |
| ACCURATE MASS (Da) | 1442.7268 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | mM581-NF15 |
| InChIKey | CZESJZSNYKFZFV-HNDDIFJPSA-N |
| InChI | InChI=1S/C72H114O27S/c1-13-55(95-59-33-56(67(93-12)43(11)94-59)96-71(88)41(9)64(85)44-23-24-50-51(27-44)54(79)26-37(5)60(50)81)38(6)62(83)39(7)63(84)40(8)65-42(10)66-68(98-66)52(77)19-15-18-45(73)28-47(75)29-48(76)30-49-32-57(100(90,91)92)69(86)72(89,99-49)70(87)61(82)36(4)21-20-34(2)16-14-17-46(74)31-53(78)35(3)22-25-58(80)97-65/h22-27,34-36,38-43,45-49,52-53,55-57,59,61-69,73-78,82-86,89H,13-21,28-33H2,1-12H3,(H,90,91,92)/t34-,35+,36-,38+,39-,40+,41-,42-,43-,45+,46-,47+,48-,49-,52?,53-,55+,56-,57+,59+,61+,62+,63+,64+,65-,66+,67-,68+,69-,72-/m1/s1 |
| SMILES | CC[C@@H]([C@H](C)[C@@H]([C@@H](C)[C@@H]([C@H](C)[C@@H]1[C@H]([C@H]2[C@@H](O2)C(CCC[C@@H](C[C@@H](C[C@H](C[C@@H]3C[C@@H]([C@H]([C@@](O3)(C(=O)[C@H]([C@@H](CC[C@@H](CCC[C@H](C[C@H]([C@H](C=CC(=O)O1)C)O)O)C)C)O)O)O)S(=O)(=O)O)O)O)O)O)C)O)O)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)OC)OC(=O)[C@H](C)[C@@H](C5=CC6=C(C=C5)C(=O)C(=CC6=O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Takeuchi, Toshifumi; Hatano, Masaki; Umekita, Maya; Hayashi, Chigusa; Wada, Shun-Ichi; Nagayoshi, Miho; Sawa, Ryuichi; Kubota, Yumiko; Kawada, Manabu; Igarashi, Masayuki; Shibasaki, Masakatsu ATP Depletion Assay Led to the Isolation of New 36-Membered Polyol Macrolides Deplelides A and B from Streptomyces sp. MM581-NF15 Organic Letters 2017 19 (16) 4207-4210. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.7b01807 | PMID | 28786681 |
