input word = C00015620

Metabolite InformationStructural formula
Name BE 52440A
Formula C34H34O14S
Mw 698.16692653
CAS RN 195051-22-0
C_ID C00015620 ,
InChIKey ZNGDPFXOZZOOAY-UHFFFAOYNA-N
InChICode InChI=1S/C34H34O14S/c1-15-33(43)29(41)25-19(7-5-9-21(25)35)27(39)31(33,13-17(47-15)11-23(37)45-3)49-32-14-18(12-24(38)46-4)48-16(2)34(32,44)30(42)26-20(28(32)40)8-6-10-22(26)36/h5-10,15-18,35-36,43-44H,11-14H2,1-4H3/t15-,16-,17-,18-,31-,32+,33-,34-/m0/s1
SMILES c12c(c(ccc1)O)C(=O)[C@@]1([C@](C2=O)(C[C@@H](O[C@H]1C)CC(=O)OC)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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