input word = C00042599

Metabolite InformationStructural formula
Name Hygrocin A
Formula C28H31NO8
Mw 509.20496697
CAS RN 874384-69-7
C_ID C00042599 ,
InChIKey ZLKHATAJGWAFJX-VANUOZAFNA-N
InChICode InChI=1S/C28H31NO8/c1-5-17-7-9-20(30)16(4)37-28(36)14(2)6-11-23(33)29-19-13-22(32)24-18(27(19)35)12-15(3)26(34)25(24)21(31)10-8-17/h6-7,9,12-13,16-17,20,30,34H,5,8,10-11H2,1-4H3,(H,29,33)/b9-7+,14-6+/t16-,17-,20-/m0/s1
SMILES CCC1/C=C/[C@H](O)[C@H](C)OC(=O)/C(C)=C/CC(=O)NC2=CC(=O)c3c(cc(C)c(O)c3C(=O)CC1)C2=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus Ref.
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OrganismStreptomyces hygroscopicus
ReferenceCai,J.Nat.Prod.,68,(2005),1736