input word = C00030997

Metabolite InformationStructural formula
Name Phlomisone
Formula C29H46O6
Mw 490.3294392
CAS RN 1095575-50-0
C_ID C00030997 ,
InChIKey XDQIJWKEEFHDSL-HHVKFHDONA-N
InChICode InChI=1S/C29H46O6/c1-24(2)14-28(13-21(24)33)11-10-26(4)17(22(28)34)6-7-19-25(3)12-18(32)23(35)29(15-30,16-31)20(25)8-9-27(19,26)5/h6,18-20,22-23,30-32,34-35H,7-16H2,1-5H3/t18-,19-,20-,22-,23-,25-,26-,27-,28-/m1/s1
SMILES CC1(C)C[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(CO)(CO)[C@@H]5CC[C@]43C)[C@H]2O)CC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePhlomis umbrosa TURCZ Ref.
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