input word = C00050112

Metabolite InformationStructural formula
Name Guanepolide
(-)-Guanepolide
Formula C27H34O9
Mw 502.22028269
CAS RN 80458-49-7
C_ID C00050112 ,
InChIKey AROURRYSXPKSSD-SJQZDFOYNA-N
InChICode InChI=1S/C27H34O9/c1-13(29)34-15-11-24(2,23-14(12-28)8-20(31)36-23)16-10-21(32)35-19-9-17-25(3,33)7-6-18(30)26(17,4)22(15)27(16,19)5/h6-7,10,14-15,17,19,22-23,28,33H,8-9,11-12H2,1-5H3/t14-,15-,17+,19-,22-,23+,24-,25+,26-,27-/m1/s1
SMILES CC(=O)O[C@@H]1C[C@@](C)([C@H]2OC(=O)C[C@@H]2CO)C2=CC(=O)O[C@@H]3C[C@@H]4[C@](C)(C(=O)C=C[C@@]4(C)O)[C@@H]1[C@]23C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeSimaba cf.orinocensis Ref.
--Simba cedron Ref.
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