input word = C00016840

Metabolite InformationStructural formula
Name Bequinostatin A
Formula C28H24O9
Mw 504.14203237
CAS RN 151013-37-5
C_ID C00016840 ,
InChIKey RKXRXHADKSOULC-UHFFFAOYNA-N
InChICode InChI=1S/C28H24O9/c1-2-3-4-5-11-6-12-7-17(30)21-14(19(12)25(33)20(11)28(36)37)10-16-23(26(21)34)27(35)22-15(24(16)32)8-13(29)9-18(22)31/h6,8-10,17,29-31,33-34H,2-5,7H2,1H3,(H,36,37)/t17-/m1/s1
SMILES c12c(C(=O)c3c(C1=O)cc1c(c3O)[C@@H](Cc3c1c(c(c(c3)CCCCC)C(=O)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. MI384-DF12 Ref.
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OrganismStreptomyces sp. MI384-DF12
ReferenceAoyama,J. Antibiotics,46,(1993),914