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 [C@@H]12[C@H]([C@@]3([C@@]4([C@](C1)([C@@H](C=C4C(C)C)C3)CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C)OC)O)O)C(=O)O)C(=O)O)CC[C@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeXylaria polymorpha F5755 Ref.
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