input word = C00030999

Metabolite InformationStructural formula
Name Phlomistetraol B
Formula C29H48O4
Mw 460.35526002
CAS RN 1095575-54-4
C_ID C00030999 ,
InChIKey SVHAKFJIIYNECQ-PCZFPXMDNA-N
InChICode InChI=1S/C29H48O4/c1-24(2)11-13-29(16-24)14-12-27(5)18(22(29)32)7-8-21-25(3)15-19(31)23(33)26(4,17-30)20(25)9-10-28(21,27)6/h7,19-23,30-33H,8-17H2,1-6H3/t19-,20-,21-,22-,23+,25+,26+,27-,28-,29+/m1/s1
SMILES [C@@H]1([C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]([C@]1(CC2)CCC(C1)(C)C)O)C)C)C)(C)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePhlomis umbrosa TURCZ Ref.
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