input word = C00056908

Metabolite InformationStructural formula
Name Sandoripin A
Formula C36H48O15
Mw 720.29932087
CAS RN 1186468-24-5
C_ID C00056908
InChIKey HOHJWQILEVUXTP-KTLWCNMQSA-N
InChICode InChI=1S/C36H48O15/c1-11-15(2)30(42)49-25-28(47-18(5)38)33(6,7)21(14-23(39)45-10)34(8)20-13-22(46-17(4)37)35(9)27(19-12-24(40)48-31(19)43)50-32(44)26(41)36(35,16(20)3)51-29(25)34/h12,15,20-22,24-29,40-41H,3,11,13-14H2,1-2,4-10H3/t15?,20-,21-,22-,24?,25-,26+,27-,28-,29-,34+,35-,36+/m0/s1
SMILES O=C(C(C)CC)O[C@@H]1[C@@]2([H])[C@@]([C@]([H])(C3=C)C[C@H](OC(C)=O)[C@]([C@H](C4=CC(O)OC4=O)OC([C@H]5O)=O)(C)[C@]53O2)(C)[C@@H](CC(OC)=O)C(C)(C)[C@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSandoricum koetjape Ref.
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