input word = C00019525

Metabolite InformationStructural formula
Name Maniladiol
3beta,16beta-Dihydroxyolean-12-ene
Formula C30H50O2
Mw 442.38108084
CAS RN 595-17-5
C_ID C00019525 ,
InChIKey VLRYIIPJIVGFIV-GUOOSJCZNA-N
InChICode InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21+,22-,23+,24+,27+,28-,29-,30-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@@]([C@H](C2)O)(CCC(C1)(C)C)C)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis heterophylla Ref.
PlantaeAsteraceaeBaccharis myrsinites Ref.
PlantaeAsteraceaeBaccharis salicina Ref.
PlantaeAsteraceaeBaccharis vaccinoides Ref.
PlantaeAsteraceaeCalendula officinalis Ref.
PlantaeAsteraceaeHelianthus annuus L cv.Peredovick. Ref.
PlantaeBurseraceaeAucoumea klaineana Ref.
PlantaeCelastraceaeGymnosporia trilocularis Ref.
PlantaeFabaceaeErythrina senegalensis Ref.
--Manila elemi Ref.
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