input word = C00057487

Metabolite InformationStructural formula
Name Sandrapin C
Formula C35H44O14
Mw 688.27310612
CAS RN 652156-91-7
C_ID C00057487
InChIKey GVHROXNZSLWMJQ-AXEVETQCSA-N
InChICode InChI=1S/C35H44O14/c1-15(2)30(41)47-23-27(45-17(4)36)32(6,7)20(13-21(38)43-10)33(8)24(39)22-16(3)35(49-28(23)33)29(46-18(5)37)31(42)48-26(19-11-12-44-14-19)34(35,9)25(22)40/h11-12,14-15,20,22-23,25-29,40H,3,13H2,1-2,4-10H3/t20-,22-,23-,25-,26-,27-,28-,29+,33-,34-,35+/m0/s1
SMILES C=C1[C@H]2C(=O)[C@@]3(C)[C@@H](O[C@@]14[C@H](OC(C)=O)C(=O)O[C@@H](c1ccoc1)[C@]4(C)[C@H]2O)[C@@H](OC(=O)C(C)C)[C@H](OC(C)=O)C(C)(C)[C@@H]3CC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSandoricum koetjape Ref.
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OrganismSandoricum koetjape
ReferenceIsmail, I.S. et al., Phytochemistry, 2003, 64, 1345-1349 (isol, pmr, cmr)