input word = C00045601

Metabolite InformationStructural formula
Name 9-Deoxy-xeniolide A
Formula C20H28O3
Mw 316.20384476
CAS RN 181306-74-1
C_ID C00045601 ,
InChIKey PGYRSUFCGXKLPM-ZQKYVQRFNA-N
InChICode InChI=1S/C20H28O3/c1-14-7-5-8-15(2)18-13-23-19(21)17(16(18)11-10-14)9-6-12-20(3,4)22/h6-7,9,12,16,18,22H,2,5,8,10-11,13H2,1,3-4H3/b12-6+,14-7-,17-9+/t16-,18+/m1/s1
SMILES C1[C@@H]2/C(=C\C=C\C(C)(O)C)/C(=O)OC[C@H]2C(=C)CC/C=C(\C1)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
Sea fansAcanthogorgiidaeAcalycigorgia inermis Ref.
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OrganismAcalycigorgia inermis
ReferenceRho,J.Nat.Prod.,64,(2001),540