Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA001493
PROPERTIES
NPAID | NPA001493 |
---|---|
CLUSTER ID | 653 |
NODE ID | 579 |
NAME | Moenomycin-B2 |
FORMULA | C68H106N5O34P |
MOLECULAR WEIGHT (Da) | 1568.5710 |
ACCURATE MASS (Da) | 1567.6457 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | bambergiensis |
InChIKey | SHSXEDBTKZLLOJ-YDFBMLCXSA-N |
InChI | InChI=1S/C68H106N5O34P/c1-29(2)14-13-16-30(3)17-18-32(5)21-24-68(9,10)23-12-11-15-31(4)22-25-95-40(61(90)91)28-97-108(93,94)107-66-58(55(106-67(70)92)52(87)56(103-66)59(69)88)105-63-43(72-35(8)76)46(81)54(39(100-63)27-96-64-50(85)47(82)44(79)38(26-74)99-64)102-62-42(71-34(7)75)45(80)53(33(6)98-62)101-65-51(86)48(83)49(84)57(104-65)60(89)73-41-36(77)19-20-37(41)78/h12,14,17,22-23,33,38-40,42-58,62-66,74,77,79-87H,5,11,13,15-16,18-21,24-28H2,1-4,6-10H3,(H2,69,88)(H2,70,92)(H,71,75)(H,72,76)(H,73,89)(H,90,91)(H,93,94)/b23-12+,30-17+,31-22-/t33?,38?,39?,40-,42?,43?,44?,45-,46-,47?,48?,49-,50?,51?,52?,53?,54?,55+,56?,57?,58?,62?,63?,64?,65-,66?/m1/s1 |
SMILES | CC1C([C@@H](C(C(O1)OC2[C@@H](C(C(OC2COC3C(C(C(C(O3)CO)O)O)O)OC4[C@H](C(C(OC4OP(=O)(O)OC[C@H](C(=O)O)OC/C=C(/C)\CC/C=C/C(C)(C)CCC(=C)C/C=C(\C)/CCC=C(C)C)C(=O)N)O)OC(=O)N)NC(=O)C)O)NC(=O)C)O)O[C@H]5C(C([C@H](C(O5)C(=O)NC6=C(CCC6=O)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Schacht, U; Huber, G Moenomycin. VII. Isolation and properties of further components of the antibiotic moenomycin Journal of Antibiotics 1969 22 (12) 597. | ||
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DOI | 10.7164/antibiotics.22.597 | PMID | 4312665 |