input word = C00058460

Metabolite InformationStructural formula
Name Dihydrojavanicin Z
Formula C22H34O7
Mw 410.23045344
CAS RN 168293-23-0
C_ID C00058460
InChIKey RXKOJBDJRGRSKA-UGNXWRDKSA-N
InChICode InChI=1S/C22H34O7/c1-9-7-12(27-5)19(26)22(4)14(9)15(24)20-21(3)11(8-13(23)29-20)10(2)17(28-6)16(25)18(21)22/h9-12,14-18,20,24-25H,7-8H2,1-6H3/t9-,10-,11+,12+,14-,15-,16-,17+,18+,20-,21+,22+/m1/s1
SMILES CO[C@H]1[C@H](C)[C@@H]2CC(=O)O[C@@H]3[C@H](O)[C@H]4[C@H](C)C[C@H](OC)C(=O)[C@]4(C)[C@@H]([C@@H]1O)[C@@]32C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePicrasma javanica Ref.
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OrganismPicrasma javanica
ReferenceK. Koike et al., Chem. Abs., (1995), 123, 222835.