input word = C00039371

Metabolite InformationStructural formula
Name Herranone
Formula C30H46O3
Mw 454.34469533
CAS RN 249730-17-4
C_ID C00039371 ,
InChIKey QOTOOBSIQMUJJV-FVJFMTIONA-N
InChICode InChI=1S/C30H42O6/c1-25(2)13-18-27(5)9-8-16-28(6,17(27)10-19(32)29(18,7)14-21(25)34)12-15(31)23-26(3,4)22-11-20(33)30(16,23)24(35)36-22/h10,15-16,18,22-24,31,35H,8-9,11-14H2,1-7H3/t15-,16-,18-,22-,23-,24-,27+,28+,29-,30?/m0/s1
SMILES C1(C(=O)C[C@]2([C@@H](C1)[C@]1(C(=CC2=O)[C@]2([C@H](CC1)[C@@]13[C@@H]([C@H](C2)O)C([C@@H](O[C@@H]1O)CC3=O)(C)C)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeHerrania cuatrecasana Ref.
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OrganismHerrania cuatrecasana
ReferenceWiedemann,Phytochem.,52,(1999),333