input word = C00050988

Metabolite InformationStructural formula
Name Isorhodeasapogenin
Formula C27H44O4
Mw 432.32395989
CAS RN 472-10-6
C_ID C00050988
InChIKey NCLLSOCDVMFDSK-JCNUDUAXNA-N
InChICode InChI=1S/C27H44O4/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/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17-,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3C4CC[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
PlantaeConvallariaceaeConvallaria keiskei Ref.
PlantaeConvallariaceaeReineckea carnea Ref.
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