input word = C00033277

Metabolite InformationStructural formula
Name Orthosiphol J
(-)-Orthosiphol J
Formula C33H40O11
Mw 612.25706212
CAS RN 316351-00-5
C_ID C00033277 ,
InChIKey HOFNFIRZXJMXPW-PLENYXRHNA-N
InChICode InChI=1S/C33H40O11/c1-9-31(7)16-21(37)25-32(8)22(15-23(41-17(2)34)33(25,40)29(31)39)30(5,6)26(43-19(4)36)24(42-18(3)35)27(32)44-28(38)20-13-11-10-12-14-20/h9-14,22-27,40H,1,15-16H2,2-8H3/t22-,23+,24-,25+,26+,27-,31-,32-,33-/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)OC(=O)C)(C(=O)[C@@](CC1=O)(C)C=C)O)C)(C)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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