input word = C00003567

Metabolite InformationStructural formula
Name Convallagenin A
Formula C27H44O5
Mw 448.31887452
CAS RN 17149-95-0
C_ID C00003567 ,
InChIKey ZUAUXYWVXMTADI-LOTZGOIMNA-N
InChICode InChI=1S/C27H44O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)12-20-18-6-9-26(30)13-17(28)11-22(29)25(26,4)19(18)7-8-24(20,23)3/h15-23,28-30H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
SMILES C1[C@@H](C[C@@]2([C@]([C@@H]1O)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@]2([C@H]1C)OC[C@H](CC2)C)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaeConvallaria keiskei Ref.
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