input word = C00055418

Metabolite InformationStructural formula
Name Antibiotic M 139603
Formula C35H53O8
Mw 601.37404367
CAS RN 75139-06-9
C_ID C00055418
InChIKey BJUFZCRLMQPLMO-RHKPWOOXSA-N
InChICode InChI=1S/C35H54O8/c1-19-9-8-10-25(30(19)23(5)32(38)31-28(37)18-41-35(31)39)16-26(17-36)34-21(3)12-14-27(42-34)13-11-20(2)33-22(4)15-29(43-33)24(6)40-7/h11,13,16,19-25,27,29-30,33-34,36-37H,8-10,12,14-15,17-18H2,1-7H3/b13-11+,26-16+/t19-,20+,21-,22+,23+,24+,25-,27-,29-,30-,33+,34-/m1/s1
SMILES CO[C@@H](C)[C@H]1C[C@H](C)[C@H]([C@@H](C)/C=C/[C@@H]2CC[C@@H](C)[C@H](/C(=C/[C@H]3CCC[C@@H](C)[C@@H]3[C@H](C)C(=O)C3=C(O)COC3=O)CO)O2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces longisporoflavus Ref.
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OrganismStreptomyces longisporoflavus
ReferenceUK Pat., 1980, 2 027 013, (ICI) (isol, props)