input word = C00015137

Metabolite InformationStructural formula
Name Sordarin-3-carboxylic acid
Formula C27H40O9
Mw 508.26723288
CAS RN 398118-02-0
C_ID C00015137 ,
InChIKey VAVQCGVUDQEFIZ-LURFQGSANA-N
InChICode InChI=1S/C27H40O9/c1-12(2)18-8-15-9-26(23(30)31)17-7-6-13(3)16(17)10-25(15,27(18,26)24(32)33)11-35-22-20(29)19(28)21(34-5)14(4)36-22/h8,12-17,19-22,28-29H,6-7,9-11H2,1-5H3,(H,30,31)(H,32,33)/t13-,14+,15+,16-,17-,19-,20-,21-,22-,25+,26-,27-/m1/s1
SMILES CO[C@@H]1C(C)O[C@@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C(=O)O)C[C@@H]2C=C(C(C)C)[C@@]34C(=O)O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeXylaria polymorpha F5755 Ref.
zoom in



OrganismXylaria polymorpha F5755
ReferenceHall,J.Antibiotics 54,(2001),948