input word = C00050827

Metabolite InformationStructural formula
Name Inflexarabdonin B
Formula C24H34O7
Mw 434.23045344
CAS RN 121817-47-8
C_ID C00050827
InChIKey VCNXZJKRQVEODK-KHPWCNQZNA-N
InChICode InChI=1S/C24H34O7/c1-11-14-7-16(30-12(2)25)20-23(6)17(28)8-18(31-13(3)26)22(4,5)19(23)15(27)10-24(20,9-14)21(11)29/h14,16-21,28-29H,1,7-10H2,2-6H3/t14-,16+,17+,18+,19-,20+,21-,23-,24+/m1/s1
SMILES C=C1[C@@H]2C[C@H](OC(C)=O)[C@@H]3[C@@](CC(=O)[C@@H]4C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@]43C)(C2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon inflexa Ref.
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