input word = C00012795

Metabolite InformationStructural formula
Name [1R-(1alpha,2beta,4abeta,5beta,6beta,8aalpha)]-Decahydro-8a-methyl-4-methylene-6-(1-methylethyl)-1,2,5-naphthalenetriol 1,2-diacetate 5-benzoate
Formula C26H34O6
Mw 442.23553882
CAS RN 73809-94-6
C_ID C00012795 ,
InChIKey JZUQIIZXUMLRBA-PNCMKGLYNA-N
InChICode InChI=1S/C26H34O6/c1-15(2)20-12-13-26(6)22(23(20)32-25(29)19-10-8-7-9-11-19)16(3)14-21(30-17(4)27)24(26)31-18(5)28/h7-11,15,20-24H,3,12-14H2,1-2,4-6H3/t20-,21-,22+,23-,24+,26+/m1/s1
SMILES C1(=C)[C@@H]2[C@@]([C@H]([C@@H](C1)OC(=O)C)OC(=O)C)(CC[C@@H]([C@H]2OC(=O)c1ccccc1)C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIva annua Ref.
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OrganismIva annua
ReferenceBohlmann,Phytochem.,18,(1979),2034