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 [C@@H]1([C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)C[C@]1(CC2)CCC(C1)(C)C)C)C)C)(CO)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePhlomis umbrosa TURCZ Ref.
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