input word = C00003580

Metabolite InformationStructural formula
Name Hecogenin
Formula C27H42O4
Mw 430.30830983
CAS RN 467-55-0
C_ID C00003580 ,
InChIKey QOLRLLFJMZLYQJ-NUIMIHBWNA-N
InChICode InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19+,20+,21+,22+,24+,25+,26-,27-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@H](CC2)[C@H]2[C@](C(=O)C1)([C@@H]1[C@H](C2)O[C@]2([C@H]1C)OC[C@@H](CC2)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAgavaceaeAgave americana L Ref.
PlantaeAgavaceaeAgave asperrima Ref.
PlantaeAgavaceaeAgave crysantha Ref.
PlantaeAgavaceaeAgave deserti Ref.
PlantaeAgavaceaeAgave endlichiana Ref.
PlantaeAgavaceaeAgave expansa Ref.
PlantaeAgavaceaeAgave fourcroydes Ref.
PlantaeAgavaceaeAgave gracilipes Ref.
PlantaeAgavaceaeAgave murpheyi Ref.
PlantaeAgavaceaeAgave palmeri Ref.
PlantaeAgavaceaeAgave parviflora Torr. Ref.
PlantaeAgavaceaeAgave shawii Ref.
PlantaeAgavaceaeAgave sisalana Perrine Ref.
PlantaeAgavaceaeAgave spp. Ref.
PlantaeAgavaceaeAgave toumeyana Ref.
PlantaeAgavaceaeFurcraea elegans Ref.
PlantaeAgavaceaeManfreda maculosa Ref.
PlantaePolygonaceaePolygonum chinensis L. Ref.
PlantaeZygophyllaceaeTribulus terrestris Ref.
--Maguey el ojital Ref.
--Maguey espadin Ref.
--Maguey tequilla manso Ref.
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OrganismAgave asperrima
ReferenceMarker,J.Am.Chem.Soc.,65,(1943),1199