input word = C00045585

Metabolite InformationStructural formula
Name 7,8-Oxido-isoxeniolide A
(+)-7,8-Oxido-isoxeniolide A
Formula C20H28O5
Mw 348.193674
CAS RN 71093-24-8
C_ID C00045585 ,
InChIKey DHTWVKTXQLZELP-HLJMHFDSNA-N
InChICode InChI=1S/C20H28O5/c1-12-10-16(21)17-20(4,25-17)9-7-13-14(6-5-8-19(2,3)23)18(22)24-11-15(12)13/h5-6,8,13,15-17,21,23H,1,7,9-11H2,2-4H3/b8-5+,14-6-/t13-,15+,16-,17+,20+/m1/s1
SMILES O=C1/C(=C\C=C\C(C)(C)O)/[C@@H]2[C@@H](CO1)C(=C)C[C@H]([C@H]1[C@](CC2)(O1)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePortulacaceae/XeniidaeXenia sp. Ref.
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