input word = C00031000

Metabolite InformationStructural formula
Name Phlomistetraol C
(+)-Phlomistetraol C
Formula C29H48O4
Mw 460.35526002
CAS RN 1095575-56-6
C_ID C00031000 ,
InChIKey FJJQNQUIZRSMKR-AEHPJRNGNA-N
InChICode InChI=1S/C29H48O4/c1-24(2)10-12-28(16-24)13-11-26(4)19(14-28)6-7-21-25(3)15-20(32)23(33)29(17-30,18-31)22(25)8-9-27(21,26)5/h6,20-23,30-33H,7-18H2,1-5H3/t20-,21-,22-,23+,25-,26-,27-,28-/m1/s1
SMILES CC1(C)CC[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)C2)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePhlomis umbrosa TURCZ Ref.
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OrganismPhlomis umbrosa TURCZ
ReferenceLiu,Chem.Pharm.Bull.,56,(2008),951