input word = C00012958

Metabolite InformationStructural formula
Name Cyclocratystyolide
[2R-(2alpha,3abeta,5beta,6abeta,7aalpha,10abeta,10balpha,10cbeta)]-2-(Acetyloxy)decahydro-5-methoxy-5,10c-dimethyl-1,8-bis(methylene)-furo[3',2':3,4]naphtho[1,8-de][1,3]dioxin-9(1H)-one
Formula C20H26O7
Mw 378.16785319
CAS RN 114916-02-8
C_ID C00012958 ,
InChIKey BDMQAFITOHQEJV-UHFFFAOYNA-N
InChICode InChI=1S/C20H26O7/c1-9-12-7-14-19(4)15(27-20(5,23-6)26-14)8-13(24-11(3)21)10(2)16(19)17(12)25-18(9)22/h12-17H,1-2,7-8H2,3-6H3/t12-,13+,14+,15-,16+,17+,19-,20-/m0/s1
SMILES C1[C@@H]2[C@@]3([C@@H]([C@H]4[C@@H]1C(=C)C(=O)O4)C(=C)[C@@H](C[C@@H]3O[C@@](O2)(C)OC)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCratystylis conocephala Ref.
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