input word = C00032511

Metabolite InformationStructural formula
Name Withangulatin I
(-)-Withangulatin I
Formula C30H36O8
Mw 524.24101813
CAS RN 1039021-31-2
C_ID C00032511 ,
InChIKey VOUXFDPQZPGAHS-OZXADLLONA-N
InChICode InChI=1S/C30H36O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,12,16,18,20-21,24-25,35H,9-11,13H2,1-6H3/t16-,18-,20+,21+,24-,25+,27+,28-,29-,30+/m0/s1
SMILES C1=CC(=O)[C@]23[C@](C1=O)([C@@H]1[C@@H](C[C@H]2O3)[C@]2([C@](CC1)(C(=C[C@@H]2OC(=O)C)[C@@H]([C@@H]1OC(=O)C(=C(C1)C)C)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata L. Ref.
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