input word = C00040806

Metabolite InformationStructural formula
Name 25R-Spirost-4-ene-3,12-dione
(-)-25R-Spirost-4-ene-3,12-dione
Formula C27H38O4
Mw 426.2770097
CAS RN 6875-60-1
C_ID C00040806 ,
InChIKey ZVWYBBDTSJOAHD-FUUZVKELNA-N
InChICode InChI=1S/C27H38O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h11,15-16,19-22,24H,5-10,12-14H2,1-4H3/t15-,16+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1
SMILES C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](C(=O)C1)([C@@H]1[C@H](C2)O[C@]2([C@H]1C)OC[C@@H](CC2)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum chinensis L. Ref.
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