input word = C00050829

Metabolite InformationStructural formula
Name Inflexarabdonin D
(-)-Inflexarabdonin D
Formula C24H36O7
Mw 436.2461035
CAS RN 124960-76-5
C_ID C00050829
InChIKey QMBNGJRSWPEKGO-SCZWSCOBNA-N
InChICode InChI=1S/C24H36O7/c1-11-14-7-15(27)20-23(6)17(29)8-18(30-12(2)25)22(4,5)19(23)16(28)10-24(20,9-14)21(11)31-13(3)26/h14-21,27-29H,1,7-10H2,2-6H3/t14-,15+,16+,17+,18+,19-,20+,21-,23-,24+/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]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon inflexa Ref.
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