input word = C00030996

Metabolite InformationStructural formula
Name Phlomisin
(+)-Phlomisin
Formula C29H46O6
Mw 490.3294392
CAS RN 1095575-64-6
C_ID C00030996 ,
InChIKey IXXYZXGNMUHRMW-UJGDTGHUNA-N
InChICode InChI=1S/C29H46O6/c1-24-9-10-28(14-24)11-17-5-6-19-25(2)12-18(32)22(33)29(15-30,16-31)20(25)7-8-26(19,3)27(17,4)13-21(28)35-23(24)34/h5,18-23,30-34H,6-16H2,1-4H3/t18-,19-,20-,21+,22-,23+,24-,25-,26-,27-,28-/m1/s1
SMILES C[C@]12CC[C@@]3(CC4=CC[C@@H]5[C@@]6(C)C[C@@H](O)[C@@H](O)C(CO)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@@H]3O[C@@H]1O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePhlomis umbrosa TURCZ Ref.
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