input word = C00044015

Metabolite InformationStructural formula
Name Withaphysalin M
(+)-Withaphysalin M
Formula C28H34O7
Mw 482.23045344
CAS RN 680618-52-4
C_ID C00044015 ,
InChIKey GUTRJAVJYHGRQZ-FVISFLNQNA-N
InChICode InChI=1S/C28H34O7/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/h7-8,15-18,20-22,30H,5-6,9-12H2,1-4H3/t15-,16+,17+,18-,20+,21-,22?,25+,26-,27-,28+/m1/s1
SMILES [C@@H]1(C=CC(=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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OrganismAcnistus arborescens
ReferenceVeras,J.Nat.Prod.,67,(2004),710