input word = C00035938

Metabolite InformationStructural formula
Name 3-O-Deacetylorthosiphol I
(-)-3-O-Deacetylorthosiphol I
Formula C29H36O9
Mw 528.23593275
CAS RN 619297-97-1
C_ID C00035938 ,
InChIKey JUOHHHMQFLSSHX-BDVDZTGGNA-N
InChICode InChI=1S/C29H36O9/c1-7-27(5)14-17(31)21-28(6)18(13-19(32)29(21,36)25(27)35)26(3,4)22(33)20(37-15(2)30)23(28)38-24(34)16-11-9-8-10-12-16/h7-12,18-23,32-33,36H,1,13-14H2,2-6H3/t18-,19+,20-,21+,22+,23-,27-,28-,29-/m0/s1
SMILES [C@@H]1([C@H](C([C@H]2[C@]([C@H]1OC(=O)c1ccccc1)([C@@H]1[C@@]([C@@H](C2)O)(C(=O)[C@](CC1=O)(C=C)C)O)C)(C)C)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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OrganismOrthosiphon stamineus
ReferenceAwale,Chem.Pharm.Bull.,52,(2003),268