input word = C00049284

Metabolite InformationStructural formula
Name Rabyuennane A
(+)-Rabyuennane A
Formula C28H38O9
Mw 518.25158281
CAS RN 134476-76-9
C_ID C00049284 ,
InChIKey DJLUBGACKAGRRX-PGFWPMDQNA-N
InChICode InChI=1S/C28H38O9/c1-13-18-11-19(33)22-27(8)10-9-20(34-14(2)29)26(6,7)23(27)21(35-15(3)30)25(37-17(5)32)28(22,12-18)24(13)36-16(4)31/h18,20-25H,1,9-12H2,2-8H3/t18?,20-,21+,22-,23+,24+,25-,27+,28-/m0/s1
SMILES C1(=O)[C@@H]2[C@]3(C[C@H](C1)C(=C)[C@H]3OC(=O)C)[C@H]([C@@H]([C@H]1[C@@]2(CC[C@@H](C1(C)C)OC(=O)C)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon gesneroides Ref.
PlantaeLamiaceaeRabdosia yuennanensis Ref.
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OrganismRabdosia yuennanensis
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Sun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)