input word = C00050831

Metabolite InformationStructural formula
Name Inflexarabdonin F
(+)-Inflexarabdonin F
Formula C22H34O6
Mw 394.23553882
CAS RN 124960-78-7
C_ID C00050831
InChIKey JKJGJGDBOLVNAQ-HCQYWSQFNA-N
InChICode InChI=1S/C22H34O6/c1-10-12-6-13(24)18-21(5)15(26)7-16(28-11(2)23)20(3,4)17(21)14(25)9-22(18,8-12)19(10)27/h12-19,24-27H,1,6-9H2,2-5H3/t12-,13+,14+,15+,16+,17-,18+,19-,21-,22+/m1/s1
SMILES C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C[C@H](O)[C@@H]2C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@]23C)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon inflexa Ref.
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