input word = C00044979

Metabolite InformationStructural formula
Name Orthosiphol V
(-)-Orthosiphol V
Formula C31H40O10
Mw 572.2621475
CAS RN 502914-94-5
C_ID C00044979 ,
InChIKey GKULTELGFCWVTD-DKVBIXDNNA-N
InChICode InChI=1S/C31H40O10/c1-8-29(6)15-19(34)23-30(7)20(14-21(39-16(2)32)31(23,38)27(29)37)28(4,5)24(40-17(3)33)22(35)25(30)41-26(36)18-12-10-9-11-13-18/h8-13,19-25,34-35,38H,1,14-15H2,2-7H3/t19-,20+,21-,22+,23-,24-,25+,29+,30+,31+/m1/s1
SMILES C=C[C@@]1(C)C[C@@H](O)[C@H]2[C@](O)(C1=O)[C@H](OC(C)=O)C[C@H]1C(C)(C)[C@H](OC(C)=O)[C@H](O)[C@H](OC(=O)c3ccccc3)[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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