input word = C00044016

Metabolite InformationStructural formula
Name Withaphysalin N
(-)-Withaphysalin N
Formula C28H36O7
Mw 484.2461035
CAS RN 680618-54-6
C_ID C00044016 ,
InChIKey PGJRQHKPPYIVQE-FVISFLNQNA-N
InChICode InChI=1S/C28H36O7/c1-13-11-21(33-23(31)14(13)2)26(4)18-6-5-17-15-12-22-28(34-22)20(30)8-7-19(29)25(28,3)16(15)9-10-27(17,18)24(32)35-26/h15-18,20-22,30H,5-12H2,1-4H3/t15-,16+,17+,18-,20+,21-,22-,25+,26-,27-,28-/m1/s1
SMILES [C@@H]1(CCC(=O)[C@]2([C@@]31[C@@H](C[C@@H]1[C@@H]2CC[C@@]24[C@H]1CC[C@@H]2[C@@]([C@H]1CC(=C(C(=O)O1)C)C)(C)OC4=O)O3)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeAcnistus arborescens Ref.
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