input word = C00044731

Metabolite InformationStructural formula
Name Dulcidiol
(-)-Dulcidiol
Formula C27H38O4
Mw 426.2770097
CAS RN 578714-91-7
C_ID C00044731 ,
InChIKey GRHQTTJLYWYUIY-LHMXHAPGNA-N
InChICode InChI=1S/C27H38O4/c1-24-12-13-27(16-24)19(15-21(24)29)14-20(31-23(30)18-8-5-4-6-9-18)22-25(2,17-28)10-7-11-26(22,27)3/h4-6,8-9,19-22,28-29H,7,10-17H2,1-3H3/t19-,20-,21-,22+,24+,25+,26+,27+/m1/s1
SMILES C[C@]12CC[C@]3(C1)[C@H](CC2O)C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@](C)(CO)CCC[C@@]13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeScoparia dulcis Ref.
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