input word = C00015474

Metabolite InformationStructural formula
Name Haematocin
Formula C24H26N2O6S2
Mw 502.12322804
CAS RN 262425-39-8
C_ID C00015474 ,
InChIKey FPNHTLQJBSBNHG-UEBGXWCGNA-N
InChICode InChI=1S/C24H26N2O6S2/c1-13(27)31-17-9-5-7-15-11-23(33-3)22(30)26-20-16(8-6-10-18(20)32-14(2)28)12-24(26,34-4)21(29)25(23)19(15)17/h5-10,17-20H,11-12H2,1-4H3/t17-,18-,19-,20-,23+,24+/m0/s1
SMILES C1=CC=C2[C@@H]([C@H]1OC(=O)C)N1[C@@](C2)(C(=O)N2[C@](C1=O)(CC1=CC=C[C@@H]([C@@H]21)OC(=O)C)SC)SC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
FungiHypocreaceaeNectria haematococca Berk. et Br.(880701a-1) Ref.
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