input word = C00055393

Metabolite InformationStructural formula
Name Australigenin
Formula C27H42O4
Mw 430.30830983
CAS RN 90865-22-8
C_ID C00055393
InChIKey XLHFBXMTUNORSV-XLVIIDFLSA-N
InChICode InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h16-24,28-29H,1,5-14H2,2-4H3/t16-,17-,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
SMILES C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLomandraceaeCordyline australis Ref.
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OrganismCordyline australis
ReferenceTschesche, R. et al., Chem. Ber., 1961, 94, 1699 (isol, struct)