input word = C00034340

Metabolite InformationStructural formula
Name Xeranthemolide
Formula C29H34O6
Mw 478.23553882
CAS RN 798567-14-3
C_ID C00034340 ,
InChIKey JFHBPWUSUGCOPS-JECNMUGXNA-N
InChICode InChI=1S/C29H34O6/c1-13-9-22-20(10-19-14(2)21(30)11-18(13)19)28(26(32)34-22)12-16-5-8-29(28)23(16)24-17(6-7-27(29,4)33)15(3)25(31)35-24/h5,8,13,16-18,20,22-24,33H,3,6-7,9-12H2,1-2,4H3/t13-,16+,17-,18-,20-,22-,23+,24-,27+,28+,29+/m0/s1
SMILES [C@@H]12C(=C(C(=O)C2)C)C[C@H]2[C@H](C[C@@H]1C)OC(=O)[C@@]12[C@]23[C@@H]([C@@H]4[C@@H](CC[C@@]2(C)O)C(=C)C(=O)O4)[C@H](C=C3)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAnthemis austriaca Ref.
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OrganismAnthemis austriaca
ReferenceStaneva,Phytochem.,69,(2008),607