input word = C00003725

Metabolite InformationStructural formula
Name Quassimarin
Formula C26H34O11
Mw 522.21011193
CAS RN 59938-97-5
C_ID C00003725 ,
InChIKey QOXAISGIEITGJU-FAVSKJAUNA-N
InChICode InChI=1S/C26H34O11/c1-6-14(35-11(3)27)22(32)37-17-19-25(5)21(31)16(29)18-24(4)12(10(2)7-13(28)20(24)30)8-15(36-23(17)33)26(18,19)9-34-25/h7,12,14-21,29-31H,6,8-9H2,1-5H3/t12-,14+,15+,16+,17+,18+,19-,20+,21-,24-,25-,26+/m0/s1
SMILES C1(=O)C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@H]3[C@]([C@H]([C@@H]1O)O)(C)OC4)OC(=O)[C@@H](CC)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeLeitneria floridana Ref.
PlantaeSimaroubaceaeQuassia amara Ref.
zoom in



OrganismQuassia amara
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter58