input word = C00042359

Metabolite InformationStructural formula
Name Cembranolide A
Formula C22H30O5
Mw 374.20932407
CAS RN 75077-42-8
C_ID C00042359 ,
InChIKey VAIRPKPEPRJXML-NHBSDZJZNA-N
InChICode InChI=1S/C22H30O5/c1-13-7-6-8-14(2)11-18-17(15(3)21(24)26-18)12-20(25-16(4)23)22(5)19(27-22)10-9-13/h7,11,17-20H,3,6,8-10,12H2,1-2,4-5H3/b13-7-,14-11+/t17-,18+,19+,20-,22+/m1/s1
SMILES C1/C(=C\CC/C(=C/[C@H]2[C@H](C[C@H]([C@@]3([C@H](C1)O3)C)OC(=O)C)C(=C)C(=O)O2)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia gibberosa Ref.
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