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=C1[C@@H](O)[C@]23C(O)[C@H]1CC[C@H]2C12[C@@H](OC[C@]4(C)[C@H]5CC=C6[C@@H](CC[C@H]7C(=C)CO[C@@H]67)[C@]5(C)CC[C@H]4O)O[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon rubescens var.rubescens Ref.
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