input word = C00015621

Metabolite InformationStructural formula
Name BE 52440B
Formula C33H34O13S
Mw 670.1720119
CAS RN 195051-23-1
C_ID C00015621 ,
InChIKey FQVMROZBQLIJOI-UHFFFAOYNA-N
InChICode InChI=1S/C33H34O13S/c1-15-32(42)28(40)24-19(6-4-8-21(24)35)26(38)30(32,13-17(45-15)10-11-34)47-31-14-18(12-23(37)44-3)46-16(2)33(31,43)29(41)25-20(27(31)39)7-5-9-22(25)36/h4-9,15-18,34-36,42-43H,10-14H2,1-3H3/t15-,16-,17+,18+,30-,31-,32-,33-/m1/s1
SMILES c12c(c(ccc1)O)C(=O)[C@]1([C@](C2=O)(C[C@@H](O[C@@H]1C)CCO)S[C@]12C(=O)c3c(c(ccc3)O)C(=O)[C@@]1([C@H](O[C@H](C2)CC(=O)OC)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. A52440 Ref.
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OrganismStreptomyces sp. A52440
ReferenceTsukamoto,J.Antibiotics 53,(2000),687