input word = C00047659

Metabolite InformationStructural formula
Name 3,7-Dideacetylkhivorin
Formula C28H38O8
Mw 502.25666819
CAS RN 30316-66-6
C_ID C00047659 ,
InChIKey IKVZJSUBXGBGNO-ODTVRVGONA-N
InChICode InChI=1S/C28H38O8/c1-14(29)34-20-12-18(30)24(2,3)17-11-19(31)27(6)16(26(17,20)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)36-22/h8,10,13,16-22,30-31H,7,9,11-12H2,1-6H3/t16-,17+,18-,19-,20+,21+,22-,25+,26-,27+,28-/m1/s1
SMILES [C@]12([C@]3([C@@H](C(=O)O[C@H]1c1cocc1)O3)[C@]1([C@H](CC2)[C@@]2([C@@H](C[C@H]1O)C([C@@H](C[C@@H]2OC(=O)C)O)(C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya senegalensis Ref.
PlantaeMeliaceaeSwietenia mahagoni Ref.
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