input word = C00034657

Metabolite InformationStructural formula
Name Rubescensin M
Formula C40H58O9
Mw 682.40808345
CAS RN 760948-12-7
C_ID C00034657 ,
InChIKey QHCSBRUYDNZPQG-UQCDVFAFNA-N
InChICode InChI=1S/C40H58O9/c1-19-17-47-29-21(19)7-10-24-23(29)9-11-25-36(24,5)16-14-27(41)37(25,6)18-48-34-38-26-12-8-22-20(2)31(43)39(26,32(22)44)40(46,49-34)33(45)30(38)35(3,4)15-13-28(38)42/h9,21-22,24-34,41-46H,1-2,7-8,10-18H2,3-6H3/t21-,22-,24+,25-,26-,27+,28-,29+,30+,31+,32+,33-,34-,36-,37+,38+,39-,40-/m0/s1
SMILES [C@@H]1(OC[C@@]2([C@@H]3[C@@](CC[C@H]2O)([C@H]2C(=CC3)[C@H]3[C@@H](CC2)C(=C)CO3)C)C)[C@]23[C@H](CCC([C@H]2[C@@H]([C@@]([C@@]24[C@H]3CC[C@@H](C(=C)[C@H]2O)[C@H]4O)(O1)O)O)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon rubescens var.rubescens Ref.
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OrganismIsodon rubescens var.rubescens
ReferenceHuang,Phytochem.,68,(2007),616