Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA021381
PROPERTIES
NPAID | NPA021381 |
---|---|
CLUSTER ID | 46 |
NODE ID | 11 |
NAME | 1-hydroxyserirubicin |
FORMULA | C60H80N2O22 |
MOLECULAR WEIGHT (Da) | 1181.2920 |
ACCURATE MASS (Da) | 1180.5203 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | cyaneus MG344-hF49 |
InChIKey | ZOAWPNFRCKMMNQ-LIHKVVSMSA-N |
InChI | InChI=1S/C60H80N2O22/c1-12-60(70)22-41(79-42-16-31(61(8)9)53(25(4)71-42)80-44-20-37-55(27(6)73-44)83-58-39(77-37)18-35(65)23(2)75-58)29-15-30-46(52(69)49-34(64)14-13-33(63)48(49)50(30)67)51(68)47(29)57(60)82-43-17-32(62(10)11)54(26(5)72-43)81-45-21-38-56(28(7)74-45)84-59-40(78-38)19-36(66)24(3)76-59/h13-15,23-28,31-32,37-45,53-59,63-64,68,70H,12,16-22H2,1-11H3/t23?,24?,25?,26?,27?,28?,31?,32?,37?,38?,39?,40?,41-,42?,43?,44?,45?,53?,54?,55?,56?,57+,58?,59?,60+/m0/s1 |
SMILES | CC[C@@]1(O)C[C@H](OC2CC(N(C)C)C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)C2=C(C(O)=C3C(=O)C4=C(O)C=CC(O)=C4C(=O)C3=C2)[C@H]1OC1CC(N(C)C)C(OC2CC3OC4CC(=O)C(C)OC4OC3C(C)O2)C(C)O1 |
ORIGINAL ISOLATION REFERENCE
CITATION | Uchida T; Imoto M; Masuda T; Yoshimoto H; Imamura K; Sawa T; Naganawa H; Takeuchi T; Umezawa H NEW ANTHRACYCLINE ANTIBIOTICS: SERIRUBICIN AND 1-HYDROXY SER IR UBI CIN Journal of Antibiotics 1985 38 (6) 795-798. | ||
---|---|---|---|
DOI | 10.7164/antibiotics.38.795 | PMID | 3860495 |